SCHEMBL9636133

SCHEMBL9636133

C=CC[S+]([O-])c1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
LDHA P00338 1/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 7/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 5/20 0.39
NPC1 O15118 4/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 4/20 0.38
STAT1 P42224 1/20 0.38
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4C Q9H3R0 2/20 0.35

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
SCHEMBL10739958 0.86 RAB9A (0.37) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL9635693 0.86 ALDH1A1 (0.42) KDM4ELDHAEPHX2ALDH1A1RAB9A
SCHEMBL9635757 0.85 KDM4E (0.42) KDM4ELDHAEPHX2ALDH1A1RAB9A
SCHEMBL9636465 0.83 KDM4E (0.42) KDM4ELDHAEPHX2ALDH1A1RAB9A
SCHEMBL9636140 0.83 KDM4E (0.40) KDM4ELDHAEPHX2ALDH1A1RAB9A
SCHEMBL9634603 0.83 KDM4E (0.40) KDM4ELDHAEPHX2ALDH1A1RAB9A
SCHEMBL9634393 0.82 KDM4E (0.40) KDM4ELDHAEPHX2ALDH1A1RAB9A
SCHEMBL9634580 0.81 KDM4E (0.43) KDM4ELDHAEPHX2ALDH1A1RAB9A
SCHEMBL9635824 0.81 KDM4E (0.45) KDM4ELDHAEPHX2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL10851426 0.80 KDM4E (0.44) KDM4ELDHAEPHX2ALDH1A1RAB9A

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
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed