SCHEMBL8370915

SCHEMBL8370915

S=C1C=Cc2ccccc2C1.[Cu]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TRPA1 O75762 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL3900328 0.98 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT
SCHEMBL31586332 0.80 TRPA1 (0.50) PARP1CA1CA2TRPA1MAPT
SCHEMBL283346 0.80 TRPA1 (0.50) PARP1CA1CA2TRPA1MAPT
SCHEMBL27986120 0.73 PARP1 (0.41) PARP1CA1CA2TRPA1MAPT
SCHEMBL23581853 0.70 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT
SCHEMBL8681237 0.70 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT
SCHEMBL10546234 0.70 CA1 (0.42) PARP1CA1CA2TRPA1MAPT
SCHEMBL23581855 0.70 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT
SCHEMBL461295 0.70 GSK3A (0.46) PARP1CA1CA2TRPA1MAPT
SCHEMBL8681224 0.70 PARP1 (0.39) PARP1CA1CA2TRPA1MAPT

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
EP-0892723-A1 APPARATUS, RECEIVER MEDIUM AND METHOD FOR DYE SUBLIMATION TRANSFER PRINTING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1999-01-27 EP disclosed
WO-1997038863-A1 APPARATUS, RECEIVER MEDIUM AND METHOD FOR DYE SUBLIMATION TRANSFER PRINTING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-10-23 WO disclosed