SCHEMBL7523315

SCHEMBL7523315

CC[CH]c1ccc(C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.53
PARP3 Q9Y6F1 1/20 0.53
PARP4 Q9UKK3 2/20 0.47
PARP1 P09874 2/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
F2 P00734 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 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
SCHEMBL5330366 0.86 PARP10 (0.49) PARP10PARP3PARP4PARP1CA2
SCHEMBL9902871 0.84 PARP10 (0.55) PARP10PARP3PARP4PARP1CA2
SCHEMBL27687171 0.80 PARP10 (0.47) PARP10PARP3PARP4PARP1CA2
SCHEMBL7519845 0.80 ALDH1A1 (0.64) CA2CA1ALDH1A1KMT2ATSHR
SCHEMBL317442 0.79 PARP10 (0.77) PARP10PARP3PARP4PARP1CA2
SCHEMBL14782316 0.79 PARP10 (0.50) PARP10PARP3PARP4PARP1CA2
SCHEMBL6207335 0.78 PRMT5 (0.61) ALDH1A1HSD17B10F2CYP2C19
SCHEMBL15121658 0.78 PARP10 (0.49) PARP10PARP3PARP4CA2CA1
SCHEMBL6090991 0.77 PARP10 (0.52) PARP10PARP3PARP4PARP1CA2
SCHEMBL8583415 0.77 PARP10 (0.55) PARP10PARP3PARP4PARP1CA2

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
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed