SCHEMBL1827786

SCHEMBL1827786

O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)c1ccno1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP2 Q8WXD0 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
IL2 P60568 1/20 0.47
MAPK14 Q16539 1/20 0.46
TRPV1 Q8NER1 8/20 0.46
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
THRB P10828 1/20 0.44
PIM1 P11309 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL16363168 0.87 KMT2A (0.49) RXFP2RXFP1HTTKMT2AMEN1
SCHEMBL2784731 0.81 KDM4E (0.40) HTTMAPTIL2TRPV1NPC1
SCHEMBL1826746 0.80 RAB9A (0.73) HTTIL2TRPV1NPC1GMNN
SCHEMBL1826804 0.80 NPC1 (0.56) HTTKMT2AMEN1MAPTIL2
SCHEMBL1826603 0.78 GFER (0.52) HTTKMT2AMEN1MAPTIL2
SCHEMBL1828111 0.76 STIM1 (0.55) IL2TRPV1
SCHEMBL1828381 0.76 IL2 (0.77) HTTMAPTIL2TRPV1CYP1A2
SCHEMBL1827469 0.76 NPC1 (0.46) HTTIL2TRPV1NPC1GMNN
SCHEMBL1828980 0.76 TRPV1 (0.57) TRPV1
SCHEMBL1828082 0.76 IL2 (0.48) HTTIL2MAPK14TRPV1NPC1

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