SCHEMBL12469027

SCHEMBL12469027

O=C(NCc1cccnc1)c1cccc(-c2ncco2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ LMNA P02545 4/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MMP13 P45452 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TSHR P16473 3/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ PSMD14 O00487 1/20 0.50
▸ STAMBP O95630 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL1928843 0.82 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1LMNANPC1ALDH1A1
SCHEMBL12469174 0.81 SIRT2 (0.61) SMN1; SMN2LMNAMAPK1NPC1ALDH1A1
SCHEMBL24933996 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPK1NPC1ALDH1A1
SCHEMBL30999881 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPK1NPC1ALDH1A1
SCHEMBL12469032 0.77 KMT2A (0.67) SMN1; SMN2LMNAMAPK1MMP13ALDH1A1
SCHEMBL7082686 0.76 TSHR (0.73) SMN1; SMN2LMNAMAPK1MMP13NPC1
SCHEMBL11626565 0.76 NPC1 (0.81) SMN1; SMN2L3MBTL1LMNANPC1ALDH1A1
SCHEMBL5209577 0.76 MMP13 (0.73) SMN1; SMN2L3MBTL1LMNAMAPK1MMP13
SCHEMBL22501665 0.76 MAPK1 (0.52) MAPK1MMP13ALDH1A1TSHRKMT2A
SCHEMBL13947589 0.76 LMNA (0.78) SMN1; SMN2L3MBTL1LMNAMMP13NPC1

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-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 — — EP claimed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 — — WO claimed
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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