SCHEMBL746434

SCHEMBL746434

CCCc1cccc(C(N)=O)c1-c1nnc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AURKA O14965 1/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PDPK1 O15530 1/20 0.33
HTR1A P08908 3/20 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
SCHEMBL746436 0.80 CSNK1A1 (0.38) PARP1LMNAKDM4EALDH1A1HPGD
SCHEMBL17295879 0.74 BCAT2 (0.46) PARP1LMNAHTTPARP2KEAP1
SCHEMBL16463453 0.71 PARP1 (0.40) PARP1LMNAHTTPARP2KDM4E
SCHEMBL986588 0.71 CSNK1A1 (0.46) PARP1PARP2KDM4EALDH1A1HPGD
SCHEMBL334956 0.70 KMT2A (0.47) LMNAHTTKDM4EALDH1A1HPGD
SCHEMBL29503449 0.70 CSNK1A1 (0.58) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16463699 0.70 KDM4E (0.40) PARP1LMNAHTTPARP2KDM4E
SCHEMBL461600 0.70 PARP1 (0.41) PARP1LMNAHTTPARP2KDM4E
SCHEMBL144959 0.70 PARP1 (0.44) PARP1LMNAHTTPARP2KDM4E
SCHEMBL3352032 0.70 PARP1 (0.41) PARP1LMNAHTTPARP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed