SCHEMBL12469174

SCHEMBL12469174

O=C(Nc1cccnc1)c1cccc(-c2ncco2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.61
▸ NAMPT P43490 8/20 0.59
▸ LMNA P02545 2/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ MCL1 Q07820 1/20 0.56
▸ POLB P06746 2/20 0.55
▸ PSMD14 O00487 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP11B1 P15538 1/20 0.52
▸ CYP11B2 P19099 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL22983004 0.81 RAB9A (0.61) NAMPTLMNAHIF1APOLBALDH1A1
SCHEMBL12469027 0.81 SMN1; SMN2 (0.57) LMNAPSMD14ALDH1A1NPC1RAB9A
SCHEMBL30533390 0.80 LMNA (0.81) SIRT2NAMPTLMNAHIF1AALDH1A1
SCHEMBL24934252 0.78 CDK8 (0.49) ALDH1A1NPC1RAB9ATSHRMAPK1
SCHEMBL30999881 0.78 ALDH1A1 (0.47) SIRT2LMNAALDH1A1NPC1RAB9A
SCHEMBL24933996 0.78 ALDH1A1 (0.47) SIRT2LMNAALDH1A1NPC1RAB9A
SCHEMBL14210406 0.77 SIRT2 (0.72) SIRT2NAMPTLMNAHIF1AALDH1A1
SCHEMBL31216543 0.76 KAT6A (0.44) POLBALDH1A1NPC1RAB9ATSHR
SCHEMBL12469175 0.76 ALDH1A1 (0.59) NAMPTLMNAMCL1POLBALDH1A1
SCHEMBL31558442 0.75 KEAP1 (0.55) POLBALDH1A1NPC1RAB9AMAPT

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
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 — — EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 — — WO disclosed
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