SCHEMBL16315332

SCHEMBL16315332

CCc1ccccc1-c1ccn(-c2cccc(C(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MYC P01106 1/20 0.42
▸ HSPA1A P0DMV8 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
SCHEMBL181735 0.82 MAOA (0.45) IDO1TDO2L3MBTL1MAOAMAOB
SCHEMBL181817 0.80 ALDH1A1 (0.49) L3MBTL1MAOAMAOBPOLBMEN1
SCHEMBL17125413 0.80 BCL2 (0.51) IDO1FABP3FABP4FABP5L3MBTL1
SCHEMBL182136 0.79 KEAP1 (0.51) L3MBTL1MAOAMAOBPOLBMEN1
SCHEMBL2710273 0.78 KMO (0.49) L3MBTL1MAOAMAOBPOLBMEN1
SCHEMBL27824806 0.77 KMO (0.59) L3MBTL1MAOAMAOBPOLBMEN1
SCHEMBL3927376 0.77 GRM5 (0.61) L3MBTL1MAOAMAOBPOLBMEN1
SCHEMBL30794485 0.77 GRM5 (0.61) L3MBTL1MAOAMAOBPOLBMEN1
SCHEMBL182162 0.76 KMO (0.53) POLBALDH1A1KDM4EGRM5STIM1
SCHEMBL181938 0.76 MEN1 (0.49) L3MBTL1MAOAMAOBPOLBMEN1

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
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 — — EP disclosed
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