SCHEMBL11764638

SCHEMBL11764638

Nc1ccc2cc(C(=O)O)cc(O)c2c1/N=N/c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ BLM P54132 1/20 0.44
▸ ENPP2 Q13822 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL11764643 1.00 APEX1 (0.56) APEX1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11765774 0.87 APEX1 (0.65) APEX1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11765761 0.87 APEX1 (0.65) APEX1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11761475 0.81 ENPP2 (0.52) APEX1MEN1KMT2APOLBENPP2
SCHEMBL11764842 0.79 APEX1 (0.62) APEX1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11764830 0.79 APEX1 (0.62) APEX1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11760573 0.73 APEX1 (0.61) APEX1ALDH1A1TDP1MEN1KMT2A
SCHEMBL11760582 0.73 APEX1 (0.61) APEX1ALDH1A1TDP1MEN1KMT2A
SCHEMBL11758267 0.73 APEX1 (0.77) APEX1ALDH1A1CYP3A4ALOX15MEN1
SCHEMBL3410648 0.73 APEX1 (0.77) APEX1ALDH1A1CYP3A4ALOX15MEN1

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-4049640-A Substituted bisnaphthylazo diphenyl ureido complement inhibitors AMERICAN CYANAMID COMPANY (US) 1977-09-20 — — US disclosed
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