SCHEMBL21615031

SCHEMBL21615031

C=C(/C=C\C)Nc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ RAB9A P51151 9/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ MAPT P10636 4/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL24004174 0.83 KDM4E (0.54) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL20827639 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL23558900 0.81 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL24004109 0.80 RAB9A (0.53) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL24004168 0.78 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL14016448 0.77 TGM2 (0.45) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL23734737 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL24318333 0.75 MAPT (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL21667194 0.75 MGLL (0.54) MEN1KMT2AKDM4EPOLB
SCHEMBL18594217 0.74 RAB9A (0.44) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210351358-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-11-11 — — US disclosed
WO-2020007770-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2020-01-09 — — WO disclosed
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