SCHEMBL1828944

SCHEMBL1828944

O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)c1ccnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 3/20 0.57
▸ RORA P35398 1/20 0.52
▸ TRPV1 Q8NER1 7/20 0.48
▸ KDR P35968 2/20 0.46
▸ BRAF P15056 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ TNNI3K Q59H18 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ RIPK1 Q13546 2/20 0.46
▸ AURKA O14965 1/20 0.45
▸ IL2 P60568 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
SCHEMBL16363178 0.89 NR2E1 (0.56) NR2E1RORATRPV1
SCHEMBL1828128 0.79 P2RX1 (0.62) TRPV1IL2
SCHEMBL1828980 0.79 TRPV1 (0.57) TRPV1
SCHEMBL8297621 0.78 RXFP1 (0.57) TRPV1IL2
SCHEMBL1828111 0.78 STIM1 (0.55) TRPV1IL2
SCHEMBL1828082 0.77 IL2 (0.48) TRPV1KDRBRAFMAPK14IL2
SCHEMBL1826042 0.76 RXFP1 (0.59) —
SCHEMBL1825927 0.75 IL2 (0.59) TRPV1IL2
SCHEMBL1827094 0.74 IL2 (0.50) TRPV1IL2
SCHEMBL379808 0.74 CYP3A4 (0.60) NR2E1

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 3 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
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 — — EP disclosed
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