SCHEMBL483522

SCHEMBL483522

C[As](C)c1cc2ccccc2c2nc3ccccc3nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
NQO2 P16083 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TOP2A P11388 3/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR3 P46089 1/20 0.38
MAOA P21397 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
NPC1 O15118 3/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL179750 0.74 TOP2A (0.45) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL7912388 0.70 MAPT (0.56) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL732274 0.70 MAPT (0.56) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL29581869 0.70 MAPT (0.56) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL26749728 0.69 NQO2 (0.56) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL15533461 0.69 ALDH1A1 (0.59) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL10603701 0.68 MYC (0.54) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL13156555 0.67 MYC (0.59) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL10025827 0.67 HPRT1 (0.59) MYCMAXNQO2ALDH1A1HSD17B10
SCHEMBL31011005 0.67 ALDH1A1 (0.56) MYCMAXNQO2ALDH1A1HSD17B10

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-2411410-A2 COMPOSITIONS AND METHODS FOR SCREENING AND USING COMPOUNDS ANTAGONIZING SPORE-SURFACE INTERACTIONS Gojo Industries, Inc. (US) 2012-02-01 EP disclosed
WO-2010126670-A2 COMPOSITIONS AND METHODS FOR SCREENING AND USING COMPOUNDS ANTAGONIZING SPORE-SURFACE INTERACTIONS GOJO INDUSTRIES, INC. (US) 2010-11-04 WO disclosed