SCHEMBL4597863

SCHEMBL4597863

Cc1cc(B(O)O)[nH]c1C#N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.34
HAVCR2 Q8TDQ0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL1801170 0.72
SCHEMBL8086262 0.69 ALDH1A1 (0.38) UPP1HAVCR2KDM4ERECQLTDP1
SCHEMBL8087591 0.65 LOXL2 (0.39) UPP1HAVCR2KDM4ERECQLTDP1
SCHEMBL4448267 0.64 UPP1 (0.34) UPP1HAVCR2KDM4ERECQLTDP1
SCHEMBL3969844 0.60 KDM4E (0.34) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL18394364 0.60 ENPP2 (0.46) TSHRALDH1A1
SCHEMBL855530 0.60 ENPP2 (0.41) UPP1HAVCR2KDM4ERECQLTDP1
SCHEMBL1232734 0.59 IMPDH2 (0.51)
SCHEMBL20500455 0.59 IMPDH2 (0.47)
SCHEMBL15367361 0.58 TSHR (0.37) TSHRALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1910285-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
WO-2007016212-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO disclosed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO disclosed