SCHEMBL8603371

SCHEMBL8603371

c1coc(-c2nc3ccc(-c4ccc5nc(-c6ccco6)[nH]c5c4)cc3[nH]2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.73
▸ EPHX2 P34913 1/20 0.73
▸ CHEK1 O14757 1/20 0.64
▸ LIMK1 P53667 1/20 0.64
▸ CDK5 Q00535 1/20 0.64
▸ CLK4 Q9HAZ1 1/20 0.64
▸ ALDH1A1 P00352 6/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ MAPT P10636 5/20 0.59
▸ POLB P06746 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ PKM P14618 2/20 0.59
▸ PDE10A Q9Y233 1/20 0.58
▸ NPC1 O15118 4/20 0.57
▸ TP53 P04637 3/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MEN1 O00255 4/20 0.56

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
SCHEMBL12082439 0.84 ALOX5 (0.69) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL10758216 0.84 ALOX5 (1.00) ALOX5EPHX2CHEK1LIMK1CDK5
Fuberidazole SCHEMBL8817074 0.81 ALOX5 (0.65) ALOX5EPHX2CHEK1LIMK1CDK5
Fuberidazole SCHEMBL29603252 0.81 ALOX5 (0.65) ALOX5EPHX2CHEK1LIMK1CDK5
Fuberidazole SCHEMBL23174 0.81 ALOX5 (0.65) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL20550741 0.81 ALOX5 (0.64) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL16497674 0.80 PKN1 (0.51) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL10768929 0.80 GPR119 (0.64) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL20550456 0.80 ALOX5 (0.63) ALOX5EPHX2CHEK1LIMK1CDK5
SCHEMBL10755191 0.79 CHEK1 (1.00) ALOX5EPHX2CHEK1LIMK1CDK5

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-5824698-A STAPHYLOCOCCUS, ENTEROCOCCUS OR HELIOBACTER HOFFMAN-LA ROCHE INC. (US) 1998-10-20 — — US claimed
US-5824698-A STAPHYLOCOCCUS, ENTEROCOCCUS OR HELIOBACTER HOFFMAN-LA ROCHE INC. (US) 1998-10-20 — — US disclosed
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