SCHEMBL3090699

SCHEMBL3090699

COc1ccc([C]=S)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
NNMT P40261 1/20 0.43
CYP2A6 P11509 2/20 0.41
ACACB O00763 2/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 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
SCHEMBL524681 0.79 GRM5 (0.49) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL3090390 0.79 GRM5 (0.49) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL29598963 0.79 GRM5 (0.49) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL4032168 0.79 GRM5 (0.49) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL29531456 0.79 GRM5 (0.49) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL17761625 0.78 GRM5 (0.55) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL22031558 0.76 GRM5 (0.54) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL6315235 0.75 GRM5 (0.45) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL31134314 0.75 GRM5 (0.53) GRM5NNMTCYP2A6ACACBPIK3CA
SCHEMBL6315239 0.75 GRM5 (0.45) GRM5NNMTCYP2A6ACACBPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed