SCHEMBL7702691

SCHEMBL7702691

CCN(C(=O)c1nc(-c2ccccc2)oc1-c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
RECQL P46063 1/20 0.43
CASP7 P55210 1/20 0.43
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADORA1 P30542 5/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39

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
SCHEMBL7700372 0.93 HPGD (0.41) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7700069 0.89 KDM4E (0.45) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7704549 0.86 ALDH1A1 (0.39) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7695167 0.81 MAPT (0.40) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7696153 0.75 ALDH1A1 (0.47) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7699801 0.75 ALDH1A1 (0.51) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7701529 0.74 POLB (0.52) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7702693 0.74 KMT2A (0.38) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL7701068 0.73 ALDH1A1 (0.69) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL29158580 0.73 ALDH1A1 (0.69) HPGDALDH1A1MAPTKDM4EKMT2A

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed