SCHEMBL8601684

SCHEMBL8601684

COc1cccc(OC)c1C(=O)Nc1cccc2c1nc(C(F)(F)F)n2CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
BRPF1 P55201 1/20 0.39
APEX1 P27695 1/20 0.38
CXCR3 P49682 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8600640 0.87 TP53 (0.53) TP53KMT2AGAAMAPTALDH1A1
SCHEMBL8596165 0.86 TP53 (0.45) TP53KMT2AMEN1
SCHEMBL8602825 0.85 TSHR (0.52) MAPTALDH1A1MAPK1RAB9ATSHR
SCHEMBL8596516 0.80 IRAK4 (0.49) MAPK1HSD17B10KDM4ERAB9ATSHR
SCHEMBL8599595 0.78 TP53 (0.53) TP53KMT2AGAAMAPTALDH1A1
SCHEMBL8601161 0.78 TP53 (0.46) TP53KMT2AMAPTALDH1A1MEN1
SCHEMBL8597372 0.77 PTGES (0.45) TP53KMT2AMEN1
SCHEMBL8597745 0.77 S1PR2 (0.47) RXFP1TP53KMT2AGAAMAPT
SCHEMBL8601785 0.77 TP53 (0.48) TP53KMT2AMAPTALDH1A1NPSR1
SCHEMBL8597312 0.76 TP53 (0.43) TP53KMT2AMEN1

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
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed