SCHEMBL8030933

SCHEMBL8030933

Nc1cc(N)c(Oc2ccccc2)cc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ LTA4H P09960 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ CTNNB1 P35222 1/20 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
Hydrochloric Acid SCHEMBL10423775 0.98 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL10944976 0.83 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL11414957 0.81 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL31613229 0.80 MAOA (0.56) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL5014782 0.80 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL5013387 0.80 MAOA (0.56) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL7774904 0.80 MAOA (0.56) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL29382755 0.80 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL30697305 0.80 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H
SCHEMBL3114464 0.80 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19CYP3A4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502784-B1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents OREAL (FR) 1995-06-21 — — EP claimed
US-5261926-A Oxidation color dyes for hair L'OREAL (FR) 1993-11-16 — — US claimed
EP-0502784-A1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents L'OREAL (FR) 1992-09-09 — — EP claimed
US-6077320-A DYEING HAIR WITHOUT AN OXIDIZER BY REACTION OF HAIR DYE WITH A PRIMARY OR SECONDARY AMINE-FUNCTIONAL COMPOUND IN THE DYE MEDIUM L'OREAL (FR) 2000-06-20 — — US disclosed
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 — — EP disclosed
EP-0847749-A1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them L'OREAL (FR) 1998-06-17 — — EP disclosed
EP-0502784-B1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents OREAL (FR) 1995-06-21 — — EP disclosed
US-5261926-A Oxidation color dyes for hair L'OREAL (FR) 1993-11-16 — — US disclosed
EP-0502784-A1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents L'OREAL (FR) 1992-09-09 — — EP disclosed
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