SCHEMBL5776317

SCHEMBL5776317

CCOc1ccc(C(=C=O)CN(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 2/20 0.49
PARP10 Q53GL7 1/20 0.49
RAB9A P51151 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
PAX8 Q06710 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 3/20 0.46
PLK1 P53350 1/20 0.46
NQO1 P15559 1/20 0.45
KDM4E B2RXH2 2/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HSD17B10 Q99714 1/20 0.44
PLA2G4B P0C869 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL290340 0.83 CES2 (0.46) ALDH1A1MAPTPARP10HTTKMT2A
SCHEMBL5567586 0.78 SMN1; SMN2 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2ATM
SCHEMBL5666967 0.78 SLC6A4 (0.45) SMN1; SMN2KMT2A
SCHEMBL16962611 0.78 TAS1R3 (0.48) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL6232499 0.78 MAOB (0.42) PARP10RAB9A
SCHEMBL5774143 0.73 HTT (0.40) ALDH1A1LMNAHTTKDM4EKMT2A
SCHEMBL5772527 0.72 LSS (0.44) RAB9ANPC1KMT2A
SCHEMBL1652097 0.71 HDAC1 (0.44) ALDH1A1MAPTKDM4EHSD17B10KMT2A
SCHEMBL9388919 0.70 ALDH1A1 (0.66) ALDH1A1MAPTPARP10RAB9ALMNA
SCHEMBL10960371 0.70 PARP10 (0.56) ALDH1A1PARP10RAB9ASMN1; SMN2NPC1

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
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed