SCHEMBL17188722

SCHEMBL17188722

COc1ccc(F)cc1-c1csc(NCC(=O)N2CCCC2C(N)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 7/20 0.51
▸ CDK9 P50750 7/20 0.51
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ KCNQ1 P51787 1/20 0.42
▸ CPT1A P50416 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ DPP4 P27487 1/20 0.40

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 0.80 RAB9A (0.52) KMT2AMEN1NPC1PIK3CDPIK3CA
SCHEMBL17188771 0.76 CPT1A (0.41) CDK9KMT2AMEN1NPC1KCNQ1
SCHEMBL17188757 0.76 SPHK2 (0.51) KMT2AMEN1NPC1PIK3CDPIK3CA
SCHEMBL17188766 0.73 KMT2A (0.57) KMT2AMEN1NPC1
SCHEMBL17188760 0.72 UCHL1 (0.46) KMT2AMEN1KCNQ1PIK3CDPIK3CA
SCHEMBL13071512 0.70 DPP4 (0.58) KMT2AHTR1AHTR7DPP4
SCHEMBL665996 0.69 DPP4 (0.57) DPP4
SCHEMBL4639711 0.69 DPP4 (0.57) DPP4
SCHEMBL17188723 0.68 GAA (0.49) KMT2AMEN1NPC1CPT1A
SCHEMBL16051914 0.67 CCNT1 (1.00) CCNT1CDK9

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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