SCHEMBL16366189

SCHEMBL16366189

O=[N+]([O-])c1cccc(-c2cccc(-c3nnnn3Nc3cccc(-c4cccc(-c5nnn[nH]5)c4)c3O)c2)c1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
GPR35 Q9HC97 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
ALPL P05186 1/20 0.31
CRHBP P24387 1/20 0.30

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
SCHEMBL3360994 0.84 GPR35 (0.44) F2F10PLGPLAUPLAT
SCHEMBL2405271 0.74 MAPT (0.39) SMN1; SMN2MAPTMITFLMNAHTT
SCHEMBL12310843 0.73 GPR35 (0.51) F2F10PLGPLAUPLAT
SCHEMBL2407031 0.65 ADORA3 (0.33) F2F10PLGPLAUPLAT
SCHEMBL2738748 0.65 S100A4 (0.47) SMN1; SMN2MAPTMEN1KMT2AGPR35
SCHEMBL2404020 0.64 MAPT (0.38) SMN1; SMN2MAPTMITFLMNAHTT
Hydrochloric Acid SCHEMBL3360037 0.64 ADORA3 (0.33) F2F10PLGPLAUPLAT
SCHEMBL3363233 0.63 HPGD (0.44) SMN1; SMN2MAPTLMNAMEN1RAB9A
SCHEMBL3164611 0.63 MAPT (0.57) SMN1; SMN2MAPTLMNAHTTMEN1
SCHEMBL29703894 0.63 MAPT (0.57) SMN1; SMN2MAPTLMNAHTTMEN1

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
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed