SCHEMBL211764

SCHEMBL211764

COc1ccc2c(c1)S[CH]N2C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
SNCA P37840 5/20 0.42
RYR2 Q92736 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B3 P37058 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PARP1 P09874 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
NOTUM Q6P988 1/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10332221 0.74 SNCA (0.49) HSD17B10SNCARYR2LMNAHSD17B3
SCHEMBL6412235 0.72 BCHE (0.52) LMNANPC1MEN1ALDH1A1MAPT
SCHEMBL17999730 0.64 SNCA (0.68) HSD17B10SNCANPC1RAB9ATP53
SCHEMBL21752052 0.64 SNCA (0.68) SNCAHSD17B3NOTUMTP53MEN1
SCHEMBL9834316 0.63 HSD17B10 (0.53) HSD17B10RYR2LMNACA1CA2
SCHEMBL7389154 0.63 SNCA (0.81) HSD17B10SNCALMNANPC1RAB9A
SCHEMBL2855495 0.61 KDM4E (0.55) NPC1RAB9APARP1CA1CA2
SCHEMBL2542278 0.61 HTT (0.58) NPC1RAB9APARP1CA1CA2
SCHEMBL2835948 0.60 PARP1 (0.55) HSD17B10LMNANPC1RAB9APARP1
SCHEMBL9304654 0.60 SNCA (0.49) HSD17B10SNCARYR2LMNAHSD17B3

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed