SCHEMBL7996009

SCHEMBL7996009

COc1ccc(-c2csc(N[C@H](C(=O)N3CCCC3)C(C)(C)C)n2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 1/20 0.52
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ MAPT P10636 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ PTPRB P23467 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ACHE P22303 1/20 0.42
▸ NFKB1 P19838 1/20 0.42

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
SCHEMBL24590196 0.73 CYP1A1 (0.64) CSNK2A1RAB9ANPC1MAPTMEN1
SCHEMBL24263371 0.73 NPC1 (0.65) CSNK2A1RAB9ANPC1MAPTMEN1
SCHEMBL17188760 0.72 UCHL1 (0.46) MAPTMEN1KMT2AMAPK1KDM4E
SCHEMBL1821135 0.72 KMT2A (0.69) CSNK2A1RAB9ANPC1MAPTMEN1
SCHEMBL11139020 0.71 CSNK2A1 (0.66) CSNK2A1RAB9ANPC1MAPTMEN1
SCHEMBL17188766 0.71 KMT2A (0.57) NPC1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12302712 0.71 MEN1 (0.67) CSNK2A1RAB9ANPC1MAPTMEN1
SCHEMBL12297227 0.70 CSNK2A1 (0.70) CSNK2A1RAB9ANPC1MAPTMEN1
SCHEMBL7997391 0.70 KCNQ1 (0.53) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7997071 0.69 NPC1 (0.52) CSNK2A1RAB9ANPC1MAPTMEN1

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
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
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