SCHEMBL13724506

SCHEMBL13724506

Bc1ccc(OC)c(COc2c(F)cccc2C(=O)NC(=N)SC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 3/20 0.46
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.35

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
SCHEMBL3077612 0.89 MC4R (0.57) MC4RKMT2AMEN1NPC1RAB9A
SCHEMBL13725362 0.84 MC4R (0.51) MC4RKMT2AMEN1
SCHEMBL13724004 0.76 HSD17B10 (0.44) MC4RALDH1A1LMNAMAPT
SCHEMBL3072138 0.72 MC4R (0.65) MC4R
SCHEMBL13724393 0.72 MC4R (0.44) MC4RKMT2AMEN1NPC1RAB9A
SCHEMBL3093327 0.69 MC4R (0.54) MC4RKMT2AMEN1NPC1RAB9A
SCHEMBL3082139 0.68 MC4R (0.74) MC4R
SCHEMBL3095952 0.66 MC4R (0.76) MC4RNPC1
SCHEMBL13724049 0.66 MC4R (0.48) MC4RKMT2AMEN1
SCHEMBL13724296 0.65 MC4R (0.52) MC4RKMT2AMEN1HTTLMNA

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
EP-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
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