SCHEMBL9776301

SCHEMBL9776301

CNc1ccc(NCCO)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ HCAR3 P49019 4/20 0.52
▸ MAPT P10636 7/20 0.48
▸ PKM P14618 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ CDC25B P30305 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GALR3 O60755 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
SCHEMBL109663 0.92 HTT (0.58) HTTALDH1A1TDP1TSHRHCAR3
SCHEMBL29392416 0.89 ALDH1A1 (0.68) ALDH1A1TDP1TSHRHCAR3MAPT
SCHEMBL127370 0.89 ALDH1A1 (0.68) ALDH1A1TDP1TSHRHCAR3MAPT
SCHEMBL10536086 0.88 ALDH1A1 (0.59) HTTALDH1A1TDP1TSHRHCAR3
SCHEMBL11780708 0.88 HTT (0.64) HTTALDH1A1TDP1TSHRHCAR3
SCHEMBL9776282 0.87 HCAR3 (0.58) HTTALDH1A1TDP1TSHRHCAR3
SCHEMBL11773204 0.87 HTT (0.58) HTTALDH1A1TDP1HCAR3MAPT
SCHEMBL2467529 0.85 HTT (0.57) HTTALDH1A1HCAR3MAPTKMT2A
SCHEMBL7239404 0.85 ALDH1A1 (0.56) HTTALDH1A1TDP1TSHRHCAR3
SCHEMBL5713544 0.85 ALDH1A1 (0.56) HTTALDH1A1TDP1TSHRHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041143-A N,N'-disubstituted nitro-para-phenylenediamines, and dyeing compositions containing the same L'OREAL (FR) 1991-08-20 — — US disclosed
US-4910341-A Reacting chloroethyl chloroformate with 4-halo-3-nitroaniline in presence of a base; cyclization; alkaline hydrolysis L'OREAL (FR) 1990-03-20 — — US disclosed
US-4904276-A Nitroaminophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate nitroaminobenzenes and their use in dyeing keratinous fibres L'OREAL (FR) 1990-02-27 — — US disclosed
US-4863481-A HAIR DYES L'OREAL (FR) 1989-09-05 — — US disclosed
US-4749379-A HAIR DYES L'OREAL (FR) 1988-06-07 — — US disclosed
US-4740622-A 3-amino-4-nitrophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate 4,5-dinitrophenols L'OREAL (FR) 1988-04-26 — — US disclosed
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