SCHEMBL17188792

SCHEMBL17188792

CCC1C[C@@H](C(N)=O)N(C(=O)CNc2nc(-c3ccc(F)c(F)c3)cs2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MEN1 O00255 11/20 0.43
▸ KMT2A Q03164 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PSMD14 O00487 1/20 0.41
▸ WNT3A P56704 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ABL1 P00519 2/20 0.39

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
SCHEMBL17188783 0.82 RAB9A (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7988045 0.75 RAB9A (0.62) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL17188757 0.74 SPHK2 (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9892817 0.68 MEN1 (0.71) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL16254980 0.66 ABL1 (0.79) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL28579111 0.65 MAPT (0.59) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL17188722 0.65 CCNT1 (0.51) NPC1MEN1KMT2A
SCHEMBL13513636 0.64 RAB9A (0.64) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4590880 0.64 KMT2A (0.59) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9891517 0.64 RAB9A (0.64) RAB9ANPC1MEN1KMT2AALDH1A1

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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