SCHEMBL6151788

SCHEMBL6151788

CNc1cc(NCCCn2ccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ QPCT Q16769 3/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SOD1 P00441 2/20 0.44

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
SCHEMBL5189414 0.86 CYP19A1 (0.60) CYP19A1ALDH1A1KDM4ELMNAPOLB
SCHEMBL6151236 0.81 MAPT (0.41) ALDH1A1POLBNPC1RAB9AMEN1
SCHEMBL7642996 0.80 QPCT (0.56) CYP19A1ALDH1A1KDM4ELMNAPOLB
SCHEMBL5189230 0.78 QPCT (0.69) CYP19A1ALDH1A1KDM4EPOLBQPCT
SCHEMBL5903400 0.78 POLB (0.66) CYP19A1ALDH1A1POLBQPCTMAOA
SCHEMBL10581105 0.78 ALDH1A1 (0.63) CYP19A1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL6151779 0.78 CYP19A1 (0.50) CYP19A1ALDH1A1KDM4ELMNAPOLB
SCHEMBL5718326 0.77 QPCT (0.56) CYP19A1ALDH1A1KDM4ELMNAQPCT
SCHEMBL9940645 0.76 MAPT (0.54) CYP19A1ALDH1A1KDM4ELMNAPOLB
SCHEMBL5718416 0.76 CYP19A1 (0.50) CYP19A1ALDH1A1KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 — — EP disclosed
US-6464731-B1 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY L'OREAL S.A. (FR) 2002-10-15 — — US disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 — — EP disclosed
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