SCHEMBL9696186

SCHEMBL9696186

O=C(O)c1cnc2ccc[n+]([O-])c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PSMD14 O00487 1/20 0.37
P4HA1 P13674 3/20 0.37
P4HTM Q9NXG6 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MIF P14174 1/20 0.36
LDHA P00338 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 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
SCHEMBL4140452 0.75 CYP1A2 (0.48) MEN1KMT2APSMD14ALDH1A1HPGD
SCHEMBL9980511 0.73 KDM4E (0.40) KDM4E
SCHEMBL14999905 0.73 KDM4E (0.40) ALDH1A1KDM4ENPC1RAB9ACYP1A2
SCHEMBL4135539 0.73 KDM4E (0.40) KDM4E
SCHEMBL1932770 0.73 KDM4E (0.43) KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL15046544 0.72 MEN1 (0.44) MEN1KMT2ACA12CA2CA9
SCHEMBL626577 0.71 MGAM (0.61) MGAMPSMD14P4HA1P4HTMALDH1A1
Hydrochloric Acid SCHEMBL7010609 0.70 MGAM (0.59) MGAMMEN1KMT2APSMD14P4HA1
SCHEMBL12458108 0.70 KDM4E (0.37) MEN1KMT2AKDM4E
SCHEMBL28048 0.69 MGAM (1.00) MGAMPSMD14ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992007468-A1 HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-14 WO disclosed