SCHEMBL11746348

SCHEMBL11746348

O=C(Oc1ccccc1)c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 10/20 0.53
▸ NPBWR1 P48145 3/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ RHEB Q15382 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11743141 0.84 RHEB (0.67) CHEK2NPBWR1NPC1RAB9AMAPT
SCHEMBL11745692 0.84 CHEK2 (0.60) CHEK2NPBWR1NPC1RAB9AMAPT
SCHEMBL28475608 0.82 RAB9A (0.68) CHEK2NPBWR1NPC1RAB9AMAPT
SCHEMBL11746334 0.82 CHEK2 (0.57) CHEK2NPC1RAB9ASMN1; SMN2RHEB
Hydrochloric Acid SCHEMBL11743381 0.81 CHEK2 (0.56) CHEK2NPC1RAB9ASMN1; SMN2RHEB
SCHEMBL28483088 0.77 NPC1 (0.71) CHEK2NPBWR1NPC1RAB9AMAPT
SCHEMBL11748575 0.74 MAPT (0.54) CHEK2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL20034142 0.72 CHEK2 (0.71) CHEK2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28475614 0.72 NPC1 (0.56) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11337480 0.71 KDM4E (0.65) CHEK2NPC1RAB9AMAPTSMN1; SMN2

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
US-4001268-A SUBSTITUTED PHENYL-BENZIMIDAZO COMPOUNDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1977-01-04 — — US disclosed
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