SCHEMBL5138374

SCHEMBL5138374

CCCCCCCCCCCCCCCc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.67
KCNH2 Q12809 1/20 0.62
NAAA Q02083 1/20 0.56
HRH3 Q9Y5N1 2/20 0.53
LMNA P02545 3/20 0.52
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CYP1A2 P05177 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP19A1 P11511 3/20 0.47
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3672276 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL666135 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL9572197 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL919951 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL25380743 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL180805 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL25381489 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL9108224 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL920310 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA
SCHEMBL21511268 1.00 HRH1 (0.67) HRH1KCNH2NAAAHRH3LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112569632-A Eutectic solvent composition, preparation method thereof and application thereof in separation of aromatic hydrocarbon 中国石油化工股份有限公司 2021-03-30 CN claimed
CN-112574773-A Eutectic solvent for separating aromatic hydrocarbon, and application and method for separating aromatic hydrocarbon 中国石油化工股份有限公司 2021-03-30 CN claimed
CN-112569632-B Eutectic solvent composition, preparation method thereof and application thereof in separation of aromatic hydrocarbon 中国石油化工股份有限公司 2023-10-31 CN disclosed
CN-112574773-A Eutectic solvent for separating aromatic hydrocarbon, and application and method for separating aromatic hydrocarbon 中国石油化工股份有限公司 2021-03-30 CN disclosed
CN-106521941-A Environmentally-friendly scouring agent used for hemp fabrics 无锡市华诚印染剂厂 2017-03-22 CN disclosed
CN-103183403-B Antibiotic pharmaceutical wastewater processing method and device UNIV NANKAI 2014-07-16 CN disclosed
CN-103183403-A Antibiotic pharmaceutical wastewater processing method and device UNIV NANKAI 2013-07-03 CN disclosed
WO-2013077943-A1 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-05-30 WO disclosed
CN-101787018-B 2,6-dimethyl 3,5-bis-[4,4'-(2-amino-3-cyano-thiophene)] pyridine and synthetic method thereof UNIV SHANGHAI 2012-01-04 CN disclosed
CN-101787018-A 2,6-dimethyl 3,5-bis-[4,4'-(2-amino-3-cyano-thiophene)] pyridine and synthetic method thereof UNIV SHANGHAI 2010-07-28 CN disclosed
US-7410935-B2 Gear fluids AFTON CHEMICAL CORPORATION (US) 2008-08-12 US disclosed
CN-1948288-A 4-hydroxy phenacyl-2,6-dimethyl pyridine-3,5-diethyl ketone hydrazone and its synthesis method UNIV SHANGHAI (CN) 2007-04-18 CN disclosed
CN-1948287-A Acetyl-2,6-dimethyl pyridine-3,5-diethyl ketone hydrazone and its synthesis method UNIV SHANGHAI (CN) 2007-04-18 CN disclosed
CN-1948289-A Phenacyl-2,6-dimethyl pyridine-3,5-diethylketone hydrazone and its synthesis method UNIV SHANGHAI (CN) 2007-04-18 CN disclosed
CN-1025856-C Extracting agent for extracting penicillin and application thereof CHEMICAL METALLURGY INST CAS (CN) 1994-09-07 CN disclosed
CN-1052862-A The extraction agent of extracting penisiuin without deemulsifier and technology CHEMICAL METALLURGY INST CAS (CN) 1991-07-10 CN disclosed