SCHEMBL8693552

SCHEMBL8693552

CCOC(=O)c1cn(Cc2ccccc2)nc1NC(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
NAMPT P43490 3/20 0.54
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
PPID Q08752 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.44
AGTR1 P30556 1/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA3 P0DMS8 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
SCHEMBL8593357 0.90 ALDH1A1 (0.48) MAPTNAMPTALDH1A1LMNAKDM4E
SCHEMBL8696343 0.89 ALDH1A1 (0.47) MAPTNAMPTALDH1A1LMNAKDM4E
SCHEMBL8698039 0.88 ADORA3 (0.52) MAPTNAMPTALDH1A1LMNAKDM4E
SCHEMBL8696823 0.88 ALDH1A1 (0.46) MAPTNAMPTALDH1A1LMNAKDM4E
SCHEMBL8696191 0.87 EPHX1 (0.47) ALDH1A1LMNAKDM4EGAAKLKB1
SCHEMBL8693518 0.86 EGFR (0.54) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL8693623 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8698728 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL8693064 0.85 ALDH1A1 (0.52) MAPTALDH1A1LMNAKDM4EKLKB1
SCHEMBL8696320 0.83 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EPOLBTSHR

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-5849779-A Pyrazole derivatives and their pharmaceutical use JAPAN ENERGY CORPORATION (JP) 1998-12-15 US disclosed
EP-0810217-A1 Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors JAPAN ENERGY CORPORATION (JP) 1997-12-03 EP disclosed