SCHEMBL17188783

SCHEMBL17188783

NC(=O)[C@@H]1CCCN1C(=O)CNc1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MEN1 O00255 10/20 0.46
▸ KMT2A Q03164 10/20 0.46
▸ PIK3CD O00329 2/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PSMD14 O00487 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 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
SCHEMBL17188757 0.91 SPHK2 (0.51) RAB9ANPC1ALDH1A1MAPK1MEN1
SCHEMBL7988045 0.82 RAB9A (0.62) RAB9ANPC1ALDH1A1MAPK1MEN1
SCHEMBL17188792 0.82 RAB9A (0.45) RAB9ANPC1ALDH1A1MAPK1MEN1
SCHEMBL17188722 0.80 CCNT1 (0.51) NPC1MEN1KMT2APIK3CDPIK3CA
SCHEMBL13524046 0.71 NPSR1 (0.54) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL3140112 0.71 NPSR1 (0.54) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13071512 0.70 DPP4 (0.58) ALDH1A1KMT2A
SCHEMBL13071511 0.70 DPP4 (0.47) PIK3CDPIK3CAPIK3CG
SCHEMBL8452347 0.70 KMT2A (0.52) RAB9AALDH1A1MAPK1MEN1KMT2A
SCHEMBL3179153 0.70 KMT2A (0.52) RAB9AALDH1A1MAPK1MEN1KMT2A

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-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 — — EP disclosed
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