SCHEMBL7704976

SCHEMBL7704976

COc1ccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
TP53 P04637 2/20 0.59
THRB P10828 1/20 0.58
RAB9A P51151 7/20 0.56
NPC1 O15118 5/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MPO P05164 1/20 0.55
STAT3 P40763 2/20 0.54
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.53
CTDSP1 Q9GZU7 2/20 0.53

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
SCHEMBL7701071 0.89 TSHR (0.63) MAPTTP53THRBRAB9ANPC1
SCHEMBL7701897 0.88 KDM4E (0.55) MAPTRAB9ANPC1KMT2AKDM4E
SCHEMBL3127884 0.88 IKBKB (0.56) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL7698000 0.86 KDM4E (0.65) MAPTTP53THRBRAB9ANPC1
SCHEMBL7695319 0.86 MAPT (0.57) MAPTTP53RAB9ANPC1KMT2A
SCHEMBL7701088 0.85 MAPT (0.53) MAPTTP53STAT3KDM4EGAA
SCHEMBL7697604 0.84 KDM4E (0.55) MAPTTP53RAB9ANPC1KMT2A
SCHEMBL7696428 0.83 STAT3 (0.55) MAPTTP53RAB9ANPC1KMT2A
SCHEMBL7697462 0.83 MAPT (0.59) MAPTTP53THRBRAB9ANPC1
SCHEMBL7696456 0.81 MAPT (0.51) MAPTTP53THRBRAB9AKMT2A

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