SCHEMBL7987507

SCHEMBL7987507

CC(C)(C)[C@H](Nc1nc(-c2ccccc2)cs1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KCNQ1 P51787 1/20 0.45
▸ PIK3CA P42336 6/20 0.45
▸ PIK3CD O00329 3/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ PIK3C2B O00750 1/20 0.45
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL7997452 0.91 TRPV1 (0.47) SMN1; SMN2LMNAKCNQ1PIK3CAPIK3CD
SCHEMBL7997391 0.89 KCNQ1 (0.53) SMN1; SMN2ALDH1A1LMNAMAPTHSD17B10
SCHEMBL7997071 0.88 NPC1 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHSD17B10
SCHEMBL17188760 0.86 UCHL1 (0.46) MAPTKCNQ1PIK3CAPIK3CDPIK3CB
SCHEMBL17188767 0.85 RAB9A (0.51) SMN1; SMN2ALDH1A1LMNAMAPTHSD17B10
SCHEMBL7999807 0.83 CNR2 (0.44) CNR2SMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL7943694 0.80 ELANE (0.46) ALDH1A1RAB9A
SCHEMBL17188712 0.76 — —
SCHEMBL7935872 0.74 ELANE (0.45) RAB9ANPC1
SCHEMBL8227722 0.73 CTSK (0.42) CNR2SMN1; SMN2ALDH1A1LMNAUSP2

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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