SCHEMBL11345970

SCHEMBL11345970

C=C(C)CNC(=O)CC#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.57
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 3/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9170054 0.76 MCL1 (0.58) MCL1ALDH1A1CYP3A4KMT2AHSD17B10
SCHEMBL5154225 0.75
SCHEMBL21315459 0.75 MCL1 (0.58) MCL1ALDH1A1CYP3A4CYP1A2KMT2A
SCHEMBL11386268 0.74 MCL1 (0.56) MCL1ALDH1A1CYP3A4CYP1A2KMT2A
SCHEMBL20068039 0.74 MCL1 (0.56) MCL1ALDH1A1CYP3A4CYP1A2KMT2A
SCHEMBL215502 0.73
SCHEMBL11336511 0.73 GAA (0.35) ALDH1A1CYP1A2GAAKDM4ECYP2C19
SCHEMBL13291442 0.73
SCHEMBL1417434 0.73
SCHEMBL6217575 0.72 MCL1 (0.74) MCL1ALDH1A1CYP3A4CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575337-B2 Oxazolidinone derivative having fused ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-11-05 US disclosed
US-4287298-A AND A POLYESTER COATED WITH A COPOLYMER MADE FROM VINYLIDINE CHLORIDE, AN ALKYL ACRYLATE AND AN ALLYL OR VINYL MONOMER CIBA-GEIGY AG (CH) 1981-09-01 US disclosed
US-4244988-A Method of coating linear polyester with aqueous latex CIBA-GEIGY AG (CH) 1981-01-13 US disclosed
US-4167593-A Method of subbing a polyester base CIBA-GEIGY AG (CH) 1979-09-11 US disclosed
US-4098953-A BIAXIALLY ORIENTED SYNTHETIC LINEAR POLYESTER FILM BASE MATERIAL WITH COPOLYMER SUBBING LAYER CIBA-GEIGY AG (CH) 1978-07-04 US disclosed