SCHEMBL9701536

SCHEMBL9701536

O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])ccc2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
GAA P10253 2/20 0.56
THRB P10828 2/20 0.56
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALOX12 P18054 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
ERN1 O75460 1/20 0.53
GYS1 P13807 1/20 0.51
CA9 Q16790 4/20 0.50
CA12 O43570 3/20 0.50
PTPRC P08575 1/20 0.50

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
SCHEMBL536487 0.89 MEN1 (0.59) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL31167616 0.89 MEN1 (0.59) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL11309698 0.88 ALDH1A1 (0.67) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL10603975 0.88 ALDH1A1 (0.67) GPR35ALDH1A1TP53HPGDTSHR
Water SCHEMBL28144477 0.87 MEN1 (0.58) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL8465035 0.86 GPR35 (0.60) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL6029637 0.86 ALDH1A1 (0.55) GPR35ALDH1A1TP53HPGDTSHR
Hydrochloric Acid SCHEMBL6777643 0.84 ALDH1A1 (0.53) GPR35ALDH1A1TP53HPGDTSHR
Ethane SCHEMBL28201792 0.84 ALDH1A1 (0.62) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL13808882 0.82 MEN1 (0.49) GPR35ALDH1A1TP53HPGDTSHR

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-1992005415-A1 TIME TEMPERATURE INDICATION CAMBRIDGE CONSULTANTS LIMITED (GB) 1992-04-02 WO disclosed