SCHEMBL10413552

SCHEMBL10413552

COC(=O)C(C#N)=Cc1ccc(C=C(C#N)C(=O)OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
CISD1 Q9NZ45 1/20 0.53
SLC16A3 O15427 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
SLC16A1 P53985 1/20 0.53
GPR35 Q9HC97 1/20 0.53
EGFR P00533 1/20 0.53
PKM P14618 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL10413551 1.00 KDM4E (0.59) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL782202 0.93 ALDH1A1 (0.65) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL13376833 0.93 ALDH1A1 (0.65) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL14413763 0.93 ALDH1A1 (0.54) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL782201 0.93 ALDH1A1 (0.65) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL5337190 0.93 ALDH1A1 (0.54) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL19506137 0.93 EGFR (0.65) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL21457723 0.92 ALDH1A1 (0.60) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL21457302 0.92 ALDH1A1 (0.53) KDM4EALDH1A1MAPTKMT2ATDP1
SCHEMBL21457589 0.92 KDM4E (0.57) KDM4EALDH1A1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4726942-A SUNSCREEN AGENTS L'OREAL (FR) 1988-02-23 US claimed
US-4950732-A RADIATION RESISTANCE EASTMAN KODAK COMPANY 1990-08-21 US disclosed
US-4480020-A Polymeric photoconductive sensitized by bis(β-cyano-β-alkoxycarbonylvinyl)benzene FUJI PHOTO FILM CO., LTD. (JP) 1984-10-30 US disclosed