SCHEMBL96871

SCHEMBL96871

CCCCCC[N]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
DNM1 Q05193 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 2/20 0.38
KCNH2 Q12809 1/20 0.38
NAAA Q02083 1/20 0.38
KCNA3 P22001 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3542927 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL6716782 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL5964912 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL6542019 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL1669437 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL6717183 1.00 MEN1 (0.40) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL96272 0.98 LTA4H (0.38) MEN1KMT2ADNM1ALDH1A1CYP1A2
SCHEMBL49576 0.91 LTA4H (0.38) MEN1KMT2AALDH1A1SMN1; SMN2CES2
SCHEMBL95534 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TP53MAPK1
Azobenzene SCHEMBL27918792 0.79 ALDH1A1 (0.60) MEN1KMT2ADNM1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342910-A Preparation method of monosubstituted cyclopentadiene 江苏南大光电材料股份有限公司 2024-01-05 CN claimed
CN-114345339-B Supported binary metal catalyst, preparation method and application thereof 厦门大学 2023-02-21 CN claimed
CN-114345339-A Supported binary metal catalyst, preparation method and application thereof 厦门大学 2022-04-15 CN claimed
CN-111234057-B Silica gel carrier, silica gel-loaded alkylaluminium metallocene catalyst, long-chain branched polyethylene, and preparation method and application thereof 上海弘岸化工有限公司 2022-03-22 CN claimed
CN-111234057-A Silica gel carrier, silica gel-loaded alkylaluminium metallocene catalyst, long-chain branched polyethylene, and preparation method and application thereof 上海弘岸化工有限公司 2020-06-05 CN claimed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP claimed
US-7897664-B2 Pneumatic tire THE GOODYEAR TIRE & RUBBER COMPANY (US) 2011-03-01 US claimed
US-20100076126-A1 PNEUMATIC TIRE THE GOODYEAR TIRE & RUBBER COMPANY 2010-03-25 US claimed
US-20090082495-A1 Pneumatic Tire ZIMMER RENE JEAN 2009-03-26 US claimed
CN-117342910-A Preparation method of monosubstituted cyclopentadiene 江苏南大光电材料股份有限公司 2024-01-05 CN disclosed
CN-116813979-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-09-29 CN disclosed
CN-112839988-B Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-06-06 CN disclosed
CN-114345339-B Supported binary metal catalyst, preparation method and application thereof 厦门大学 2023-02-21 CN disclosed
CN-114345339-A Supported binary metal catalyst, preparation method and application thereof 厦门大学 2022-04-15 CN disclosed
US-4714698-A ANTITUMOR, ANTICOAGULANT DR. KARL THOMAE GMBH (DE) 1987-12-22 US disclosed
EP-0167817-A1 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1986-01-15 EP disclosed
US-4353734-A PRE- AND POSTEMERGENCE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1982-10-12 US disclosed
US-4122261-A Polycyclic iminoisoindoline chelates STERLING DRUG INC. (US) 1978-10-24 US disclosed
US-4066653-A 1-IMINO-3-(4-IMINO-5-THIAZOLIDINYLIDENE)ISOINDOLINES STERLING DRUG INC. (US) 1978-01-03 US disclosed
US-3993658-A Thiazolidinylidene-isoindolines STERLING DRUG INC. (US) 1976-11-23 US disclosed