SCHEMBL3128947

SCHEMBL3128947

COc1ccc(CCCC(N)=O)cc1S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PLAAT3 P53816 1/20 0.45
▸ PLAAT5 Q96KN8 1/20 0.45
▸ PLAAT2 Q9NWW9 1/20 0.45
▸ PLAAT4 Q9UL19 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL3123431 0.93 SMN1; SMN2 (0.50) SMN1; SMN2CA1CA2CA9CA14
SCHEMBL2224074 0.84 ATM (0.61) PLAAT3PLAAT5PLAAT2PLAAT4CA1
Water SCHEMBL11279881 0.82 ATM (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CA1
SCHEMBL3129382 0.82 ALOX5 (0.47) SMN1; SMN2CA1CA2CA9CA14
SCHEMBL3129954 0.81 IGF1R (0.41) LMNA
SCHEMBL5723904 0.80 CYP3A4 (0.64) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL9632482 0.80 PKM (0.52) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2221405 0.79 KDM4E (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CA1
SCHEMBL3126685 0.78 ALDH1A1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL5192275 0.78 KDM4E (0.57) PLAAT3PLAAT5PLAAT2PLAAT4CA1

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
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — WO disclosed
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