SCHEMBL9295845

SCHEMBL9295845

CCC(=O)Nc1cccnc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.58
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ MAPT P10636 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ AGER Q15109 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SHMT2 P34897 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL30910867 0.82 BRD4 (0.86) BRD4ALDH1A1KDM4EMAPTTSHR
SCHEMBL3573826 0.81 KMT2A (0.57) BRD4ALDH1A1KDM4EMAPTALOX15
SCHEMBL23931860 0.81 KDM4E (0.55) BRD4ALDH1A1KDM4EMAPTALOX15
SCHEMBL19151120 0.80 BRD4 (0.54) BRD4ALDH1A1KDM4EMAPTSHMT2
SCHEMBL31490031 0.80 KDM4E (0.53) BRD4ALDH1A1KDM4EMAPTALOX15
SCHEMBL31082406 0.79 KDM4E (0.52) BRD4ALDH1A1KDM4EMAPTALOX15
SCHEMBL13780123 0.79 RAB9A (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL26789796 0.79 BRD4 (0.49) BRD4ALDH1A1KDM4ETSHRNPSR1
SCHEMBL27677846 0.79 SHMT2 (0.68) BRD4ALDH1A1KDM4ESHMT2SMN1; SMN2
SCHEMBL28000194 0.79 BRD4 (0.50) BRD4ALDH1A1KDM4EMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573581-A4 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1 INC (US) 1994-06-29 — — EP claimed
EP-0573581-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, Inc. (US) 1993-12-15 — — EP claimed
WO-1992014453-A1 COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN ARC 1, INC. (US) 1992-09-03 — — WO claimed
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