SCHEMBL4565770

SCHEMBL4565770

COC(=O)c1cc2c(OCc3ccccc3)cc(F)cc2[nH]1.COC(=O)c1cc2c(OCc3ccccc3)cc(F)cc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.55
SRD5A1 P18405 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
ULK1 O75385 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
PTGER1 P34995 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL3297410 1.00 SRD5A2 (0.55) SRD5A2SRD5A1IDO1TDO2CTSV
SCHEMBL27189535 0.89 SRD5A2 (0.53) SRD5A2SRD5A1IDO1TDO2CTSV
SCHEMBL27189570 0.88 SRD5A2 (0.70) SRD5A2SRD5A1IDO1TDO2CTSV
SCHEMBL7168633 0.87 SRD5A2 (0.56) SRD5A2SRD5A1IDO1TDO2CTSV
SCHEMBL7194638 0.86 SRD5A2 (0.55) SRD5A2SRD5A1IDO1CTSVCTSL
SCHEMBL31530779 0.86 SRD5A2 (0.58) SRD5A2SRD5A1IDO1TDO2CTSV
SCHEMBL6595625 0.84 SRD5A2 (0.77) SRD5A2SRD5A1IDO1CTSVCTSL
SCHEMBL28589615 0.84 SRD5A2 (0.53) SRD5A2SRD5A1IDO1TDO2CTSV
SCHEMBL6596446 0.84 SRD5A2 (0.55) SRD5A2SRD5A1IDO1TDO2CTSV
SCHEMBL28589649 0.83 SRD5A2 (0.52) SRD5A2SRD5A1IDO1TDO2CTSV

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-2084131-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
WO-2008055808-A1 INDOLE AND BENZOFURAN 2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed