SCHEMBL7872540

SCHEMBL7872540

COc1ccc([N+](=O)[O-])c(Nc2cccc(CN)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.53
▸ AKR1C2 P52895 5/20 0.53
▸ AKR1B10 O60218 2/20 0.53
▸ AKR1B1 P15121 2/20 0.53
▸ AKR1C4 P17516 2/20 0.53
▸ AKR1C1 Q04828 2/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 5/20 0.50
▸ HPGD P15428 1/20 0.50
▸ FBP1 P09467 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALPG P10696 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43

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
SCHEMBL7883169 0.84 KAT2B (0.51) MEN1KMT2AMAPTFBP1TDP1
SCHEMBL2331032 0.83 AKR1C3 (0.60) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2212705 0.82 AKR1C3 (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2324743 0.81 AKR1C3 (0.60) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL28853179 0.81 TDP1 (0.62) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL4930929 0.79 MAPT (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2327235 0.79 AKR1C3 (0.53) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2328747 0.79 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL11901725 0.78 MEN1 (0.62) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL7872403 0.77 TXNRD1 (0.48) MEN1KMT2AMAPTMAPK1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 — — US claimed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 — — EP claimed
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 — — US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 — — EP disclosed
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