SCHEMBL12334263

SCHEMBL12334263

Bc1ccccc1C(=O)Nc1ccc(C(C)(O)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PDK1 Q15118 2/20 0.43
▸ PDK2 Q15119 2/20 0.43
▸ PDK3 Q15120 2/20 0.43
▸ PDK4 Q16654 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ UGCG Q16739 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL12334266 0.85 HPGD (0.60) RORCSMN1; SMN2PTGS1NPC1RAB9A
SCHEMBL12334059 0.85 MEN1 (0.67) RORCSMN1; SMN2PTGS1NPC1RAB9A
SCHEMBL12334640 0.84 MEN1 (0.59) RORCSMN1; SMN2PTGS1NPC1RAB9A
SCHEMBL14388924 0.76 ALDH1A1 (0.66) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL12334262 0.76 TRPV1 (0.74) RORCSMN1; SMN2PTGS1NPC1RAB9A
SCHEMBL12334246 0.75 RAB9A (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12334247 0.75 RAB9A (0.48) RORCSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL12334628 0.75 GPR27 (0.58) RORCSMN1; SMN2PTGS1NPC1RAB9A
SCHEMBL12334252 0.75 SNCA (0.56) SMN1; SMN2NPC1RAB9AMAPK1KMT2A
SCHEMBL19180948 0.75 PDK1 (0.54) RORCSMN1; SMN2NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 — — WO disclosed
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