SCHEMBL7674468

SCHEMBL7674468

COc1cccc(/C=C/C(=O)Nc2scc(C)c2C(N)=O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFE2L2 Q16236 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
BCHE P06276 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX5 P09917 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7002930 1.00 RAB9A (0.53) RAB9AMAPTNPC1SMN1; SMN2NFE2L2
SCHEMBL7676325 0.81 LY96 (0.54) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7674085 0.81 KMT2A (0.55) MAPTNPC1MEN1KMT2ANFKB1
SCHEMBL7003196 0.81 LY96 (0.54) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7674081 0.81 KMT2A (0.55) MAPTNPC1MEN1KMT2ANFKB1
SCHEMBL7676274 0.80 FLT3 (0.64) RAB9AMAPTNPC1SMN1; SMN2NFE2L2
SCHEMBL7005500 0.80 FLT3 (0.64) RAB9AMAPTNPC1SMN1; SMN2NFE2L2
SCHEMBL8635621 0.75 TRPA1 (0.65) RAB9AMAPTNPC1SMN1; SMN2NFE2L2
SCHEMBL6997417 0.75 MAPT (0.49) RAB9AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL8635625 0.75 TRPA1 (0.65) RAB9AMAPTNPC1SMN1; SMN2NFE2L2

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-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed