SCHEMBL247479

SCHEMBL247479

Cc1ccc(CC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 2/20 0.46
IDO1 P14902 1/20 0.46
CYP1A2 P05177 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
AGXT P21549 2/20 0.41
KMT2A Q03164 1/20 0.40
GLA P06280 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8993250 0.93 SRD5A2 (0.41) CYP2A6ALDH1A1IDO1CYP1A2TAAR1
SCHEMBL9925859 0.93 NAAA (0.44) CYP2A6ALDH1A1IDO1CYP1A2TAAR1
Toluene SCHEMBL15756043 0.91 LMNA (0.48) CYP2A6ALDH1A1IDO1TDP1ACHE
Toluene SCHEMBL15756051 0.91 LMNA (0.48) CYP2A6ALDH1A1IDO1TDP1ACHE
Toluene SCHEMBL15303842 0.91 LMNA (0.48) CYP2A6ALDH1A1IDO1TDP1ACHE
SCHEMBL4193868 0.87 MMP3 (0.43) CYP2A6ALDH1A1IDO1TDP1L3MBTL1
SCHEMBL2154504 0.86 KMT2A (0.47) CYP2A6CYP1A2TDP1L3MBTL1MAPT
SCHEMBL1020870 0.82 MAOB (0.54) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5227024 0.80 MAPT (0.38) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL20879574 0.80 ACHE (0.50) ALDH1A1IDO1TDP1ACHEMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1527 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US claimed
US-20240392094-A1 Method for Screening Solvent for Polyvinyl Chloride Extraction, Recycling Method for Waste Material, and Recycled Polyvinyl Chloride and Composition LG CHEM, LTD. (KR) 2024-11-28 US claimed
CN-118359798-A Aryl and cyano difunctional poly ɛ -caprolactone polymer and preparation method thereof 大连理工大学 2024-07-19 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-116930353-A Method for measuring 47 pesticides such as organic phosphorus and pyrethroid in soil and sediment 湖南省生态环境监测中心 2023-10-24 CN claimed
CN-116640757-A Construction method and application of immobilized enzyme system based on artificial antibody-antigen 大连工业大学 2023-08-25 CN claimed
EP-3697529-B1 HEATED NANOWELLS FOR POLYNUCLEOTIDE SYNTHESIS TWIST BIOSCIENCE CORP (US) 2023-05-24 EP claimed
WO-2023033601-A1 METHOD FOR SCREENING SOLVENT FOR POLYVINYL CHLORIDE EXTRACTION, RECYCLING METHOD FOR WASTE MATERIAL, AND RECYCLED POLYVINYL CHLORIDE AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
EP-0823904-A1 PROCESS FOR THE PREPARATION OF SPIROINDOLINES Merck & Co., Inc. (US) 1998-02-18 EP claimed
US-5614632-A Process for the preparation of leukotriene anatgonists MERCK & CO., INC. (US) 1997-03-25 US claimed
WO-1996033189-A1 PROCESS FOR THE PREPARATION OF SPIROINDOLINES MERCK & CO., INC. (US) 1996-10-24 WO claimed
EP-0737186-A1 PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS MERCK & CO. INC. (US) 1996-10-16 EP claimed
WO-1995018107-A1 PROCESS FOR THE PREPARATION OF LEUKOTRIENE ANTAGONISTS MERCK & CO., INC. (US) 1995-07-06 WO claimed
EP-0417555-B1 Pentamethine dyes and derivatives BAYER AG (DE) 1993-11-03 EP claimed
US-5118814-A Pressure sensitive and heat sensitive recording media BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US claimed
EP-0417555-A1 Pentamethine dyes and derivatives BAYER AG (DE) 1991-03-20 EP claimed
EP-0370198-A1 Tetraindolyl heptamethine derivatives BAYER AG (DE) 1990-05-30 EP claimed
US-4046814-A Preparation of diketones WRIGHT STATE UNIVERSITY (US) 1977-09-06 US claimed