SCHEMBL7571403

SCHEMBL7571403

N#CCCn1ncc2ccc(N)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
HTR2A P28223 6/20 0.47
HTR2C P28335 6/20 0.47
HTR2B P41595 4/20 0.47
KMO O15229 7/20 0.40
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
HTR1D P28221 1/20 0.38
HTR7 P34969 1/20 0.38
HTR4 Q13639 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
CSNK1A1 P48729 1/20 0.34

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
SCHEMBL30861000 0.84 CYP1A2 (0.43) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL6783242 0.84 CYP1A2 (0.43) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL14910829 0.80 HTR2A (0.54) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL20769975 0.80 HTR2A (0.50) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL14320854 0.80 HTR2A (0.54) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL30833639 0.80 HTR2A (0.54) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL22502397 0.77 HTR2A (0.48) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL5308721 0.77 HTR2A (0.51) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL31018524 0.76 HTR2A (0.47) CYP1A2HTR2AHTR2CHTR2BKMO
SCHEMBL5308316 0.76 HTR2A (0.50) HTR2AHTR2CHTR2BKMOHTR1A

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-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US claimed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US disclosed