SCHEMBL1828447

SCHEMBL1828447

Cc1cc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.52
F2 P00734 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ROCK1 Q13464 1/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IL2 P60568 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
SCN9A Q15858 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL16363164 0.90 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL1826462 0.83 IL2 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL2785601 0.82 RAB9A (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL1827469 0.77 NPC1 (0.46) NPSR1CYP3A4IL2CYP2C9TRPV1
SCHEMBL1826804 0.76 NPC1 (0.56) POLBMAPTNPSR1CYP3A4ALDH1A1
SCHEMBL8297621 0.76 RXFP1 (0.57) MAPTALDH1A1IL2MEN1KMT2A
SCHEMBL20852342 0.75 MEN1 (0.55) F10POLBMAPTNPSR1ALDH1A1
SCHEMBL17664559 0.75 POLB (0.60) POLBMAPTNPSR1ALDH1A1MEN1
SCHEMBL1828980 0.74 TRPV1 (0.57) TRPV1
SCHEMBL1827030 0.74 POLB (0.54) POLBMAPTALDH1A1IL2MEN1

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-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed