SCHEMBL7988045

SCHEMBL7988045

O=C(CNc1nc(-c2ccc(F)c(F)c2)cs1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ MEN1 O00255 11/20 0.52
▸ KMT2A Q03164 11/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PSMD14 O00487 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ WNT3A P56704 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ PTGS2 P35354 1/20 0.45

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
SCHEMBL3179153 0.87 KMT2A (0.52) RAB9AMEN1KMT2AALDH1A1MAPK1
SCHEMBL8459487 0.86 HPGD (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8452347 0.85 KMT2A (0.52) RAB9AMEN1KMT2AALDH1A1MAPK1
SCHEMBL17188783 0.82 RAB9A (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3171698 0.82 MMP2 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3173811 0.81 GAA (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL3179280 0.80 MMP2 (0.47) RAB9AMEN1KMT2AALDH1A1MAPK1
SCHEMBL6828220 0.78 KMT2A (0.47) RAB9AMEN1KMT2AALDH1A1MAPK1
SCHEMBL17188733 0.78 GAA (0.40) RAB9ANPC1ALDH1A1MAPK1KDM4E
SCHEMBL17188792 0.75 RAB9A (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813500-B1 Intermediates for the preparation of hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-08-17 — — EP disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
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