SCHEMBL17188760

SCHEMBL17188760

COc1ccccc1-c1csc(N[C@H](C(=O)N2CCC[C@H]2C(N)=O)C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ HPGDS O60760 1/20 0.45
▸ VCP P55072 1/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KCNQ1 P51787 2/20 0.42
▸ PIK3C2B O00750 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ ATP4A P20648 3/20 0.41
▸ ATP4B P51164 3/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ TRPV1 Q8NER1 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
SCHEMBL7987507 0.86 CNR2 (0.47) PIK3CAPIK3CDKDM4EMAPTKCNQ1
SCHEMBL7997391 0.85 KCNQ1 (0.53) MAPTMAPK1KCNQ1MEN1KMT2A
SCHEMBL7997071 0.84 NPC1 (0.52) UCHL1USP30KDM4EMAPTMAPK1
SCHEMBL7997452 0.83 TRPV1 (0.47) PIK3CAPIK3CDKCNQ1PIK3C2BPIK3CB
SCHEMBL12780144 0.78 ELANE (0.46) HTR1AHTR7ELANE
SCHEMBL17188767 0.77 RAB9A (0.51) KDM4EMAPTMEN1KMT2A
SCHEMBL12336180 0.75 ELANE (0.46) HTR1AHTR7MEN1KMT2AELANE
SCHEMBL7943694 0.74 ELANE (0.46) ELANE
SCHEMBL7996009 0.72 CSNK2A1 (0.52) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL17188722 0.72 CCNT1 (0.51) PIK3CAPIK3CDKCNQ1HTR1AHTR7

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
Send feedback