SCHEMBL6593084

SCHEMBL6593084

CC(=O)Nc1ccc2c(O)cc(C(=O)O)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ GLA P06280 1/20 0.53
▸ TNNI3 P19429 1/20 0.53
▸ TNNT2 P45379 1/20 0.53
▸ TNNC1 P63316 1/20 0.53
▸ RUNX1 Q01196 1/20 0.53
▸ CBFB Q13951 1/20 0.53
▸ PABPC1 P11940 1/20 0.50
▸ ELANE P08246 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ PDE10A Q9Y233 2/20 0.46
▸ LDHA P00338 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ ROCK2 O75116 1/20 0.43

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
SCHEMBL6080447 0.86 SMN1; SMN2 (0.54) KDM4EKMT2AMAPTNPC1RAB9A
SCHEMBL2907650 0.81 IGFBP3 (0.43) KDM4EMAPTRAB9AALDH1A1PKM
SCHEMBL2905327 0.77 GRM2 (0.49) KDM4EKMT2AMAPTRAB9AMEN1
SCHEMBL2905794 0.77 IGFBP5 (0.46) KDM4EMAPTRAB9AALDH1A1
SCHEMBL2902980 0.75 ALOX15 (0.47) KDM4EKMT2AMAPTNPC1RAB9A
SCHEMBL6080450 0.75 KDM4E (0.51) KDM4EKMT2AMAPTNPC1RAB9A
SCHEMBL2909734 0.74 MCL1 (0.44) KDM4EKMT2ANPC1MEN1ALDH1A1
SCHEMBL2909106 0.74 IGFBP5 (0.45) KDM4EALDH1A1
SCHEMBL9398468 0.74 IGFBP5 (0.43) KDM4EMAPTRAB9A
7-Chlorokynurenic Acid SCHEMBL29386783 0.74 IGFBP3 (0.47) KMT2AALDH1A1POLBCYP1A2HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 — — EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 — — WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 — — EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 — — WO disclosed
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