SCHEMBL11743141

SCHEMBL11743141

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.67
▸ MMP2 P08253 5/20 0.62
▸ MMP9 P14780 5/20 0.62
▸ MMP8 P22894 5/20 0.62
▸ MMP13 P45452 5/20 0.62
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ NFKB1 P19838 3/20 0.60
▸ NFKB2 Q00653 3/20 0.60
▸ RELA Q04206 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MAPT P10636 5/20 0.57
▸ NPBWR1 P48145 5/20 0.55
▸ ATM Q13315 1/20 0.52
▸ TNKS O95271 1/20 0.51

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
SCHEMBL11745692 0.85 CHEK2 (0.60) MMP2MMP9MMP8MMP13NPC1
SCHEMBL3183363 0.85 NPBWR1 (0.63) RHEBMMP2MMP9MMP8MMP13
SCHEMBL5219206 0.85 NPBWR1 (0.77) RHEBMMP2MMP9MMP8MMP13
SCHEMBL11746348 0.84 CHEK2 (0.53) RHEBNPC1RAB9ANFKB1NFKB2
SCHEMBL28483088 0.83 NPC1 (0.71) MMP2MMP9MMP8MMP13NPC1
SCHEMBL8610747 0.82 NPBWR1 (0.60) RHEBMMP2MMP9MMP8MMP13
SCHEMBL19995192 0.82 NPBWR1 (0.69) RHEBMMP2MMP9MMP8MMP13
SCHEMBL25318263 0.81 KDM4E (0.75) RHEBMMP2MMP9MMP8MMP13
SCHEMBL20982713 0.81 KDM4E (0.75) RHEBMMP2MMP9MMP8MMP13
SCHEMBL29906102 0.81 KDM4E (0.75) RHEBMMP2MMP9MMP8MMP13

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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