SCHEMBL10756142

SCHEMBL10756142

O=[N+]([O-])c1cc(C(O)c2ccc(Cl)cc2)ccc1-n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIK4 Q16099 1/20 0.46
GRIK5 Q16478 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
IDO1 P14902 2/20 0.44
CDK1 P06493 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL29758064 0.84 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL11077376 0.84 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10022405 0.80 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10759377 0.79 IDO1 (0.49) IDO1NOTUM
SCHEMBL10759778 0.79 IDO1 (0.56) MEN1KMT2AIDO1MAPTLMNA
SCHEMBL28850718 0.76 GRIA1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10786918 0.74 GRIK1 (0.57) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10758932 0.74 NOTUM (0.74) MEN1KMT2AIDO1MAPTLMNA
SCHEMBL995544 0.73 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL1237406 0.73 GRIA1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4

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
US-4661603-A ENZYME INHIBITORS; VASODILATORS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-04-28 US disclosed
EP-0110996-B1 IMIDAZOLE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-09-03 EP disclosed
US-4581369-A THROMBANE INHIBITORS, ANTICOAGULANTS, VASODILATORS, AND TREATMENT OF LIVER DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-04-08 US disclosed