SCHEMBL5718359

SCHEMBL5718359

COc1cc(NCCCn2ccnc2)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.56
▸ POLB P06746 1/20 0.55
▸ QPCT Q16769 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL5718416 0.88 CYP19A1 (0.50) CYP19A1POLBQPCTALDH1A1KDM4E
SCHEMBL7665095 0.87 CYP19A1 (0.49) CYP19A1POLBQPCTALDH1A1KDM4E
SCHEMBL5718203 0.84 CYP19A1 (0.47) CYP19A1POLBQPCTALDH1A1KDM4E
SCHEMBL5718326 0.82 QPCT (0.56) CYP19A1QPCTALDH1A1KDM4ELMNA
SCHEMBL5718321 0.81 LMNA (0.39) CYP19A1POLBALDH1A1LMNA
SCHEMBL9940645 0.80 MAPT (0.54) CYP19A1POLBQPCTALDH1A1KDM4E
SCHEMBL5718274 0.76 CYP19A1 (0.36) CYP19A1POLBALDH1A1LMNA
SCHEMBL7642996 0.74 QPCT (0.56) CYP19A1POLBQPCTALDH1A1KDM4E
SCHEMBL6151779 0.74 CYP19A1 (0.50) CYP19A1POLBQPCTALDH1A1KDM4E
SCHEMBL6572180 0.73 POLB (0.55) CYP19A1POLBQPCTALDH1A1KDM4E

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-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 — — EP disclosed
US-6478827-B1 Use of cationic monobenzene nitroanilines in the dyeing of keratinous fibers, dyeing compositions and dyeing processes L'ORéAL S.A. (FR) 2002-11-12 — — US disclosed
EP-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 — — EP disclosed
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