SCHEMBL11287708

SCHEMBL11287708

CCN1C(=O)C(=C2c3ccccc3-c3c(C#N)cc(C#N)cc32)C(=O)N(CC)C1=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4C Q9H3R0 1/20 0.36
LMNA P02545 2/20 0.36
RXFP1 Q9HBX9 2/20 0.35
TNFRSF1A P19438 3/20 0.35
PGR P06401 3/20 0.34
DRD2 P14416 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DRD3 P35462 1/20 0.33
BRD4 O60885 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL11285526 0.92 CASP3 (0.35) ALDH1A1MAPTMEN1KMT2AKDM4C
SCHEMBL11282570 0.92 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4C
SCHEMBL11285147 0.84 CASP3 (0.38) ALDH1A1MAPTLMNAPGRKDM4E
SCHEMBL11287713 0.78 PGR (0.32) ALDH1A1MAPTLMNAPGRUSP8
SCHEMBL11282576 0.78 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4C
SCHEMBL11285155 0.76 PGR (0.33) MAPTLMNAPGRUSP8USP7
SCHEMBL11278160 0.76 CASP3 (0.43)
SCHEMBL11290117 0.76 NR1H2 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4C
SCHEMBL11285530 0.70 CASP3 (0.34)
SCHEMBL11282135 0.70 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4C

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-4349618-A 5-DIPHENYLMETHYLENE- OR 5-(FLUOREN-9-YLIDENE) THIOBARBITURIC ACID AND DERIVATIVES AS SENSITIZERS FOR N-VVINYLCARBAZOLE POLYMERS; ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 US claimed
US-4349618-A 5-DIPHENYLMETHYLENE- OR 5-(FLUOREN-9-YLIDENE) THIOBARBITURIC ACID AND DERIVATIVES AS SENSITIZERS FOR N-VVINYLCARBAZOLE POLYMERS; ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 US disclosed