SCHEMBL7571990

SCHEMBL7571990

Nc1cc(Cl)cc2cn[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.46
CHEK1 O14757 2/20 0.44
DYRK1A Q13627 1/20 0.41
CHUK O15111 1/20 0.40
TDO2 P48775 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HPGD P15428 2/20 0.37
ROCK1 Q13464 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
ROCK2 O75116 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL204492 0.79 NOS1 (0.53) NOS1CHEK1DYRK1ACHUKTDO2
SCHEMBL7572921 0.76 MAPT (0.47) NOS1CHEK1MAPTKDM4EMEN1
SCHEMBL19204860 0.76 NOS1 (0.46) NOS1DYRK1ATDO2HRH4FGFR1
SCHEMBL2430496 0.76 NOS1 (0.50) NOS1CHEK1DYRK1ATDO2MAPT
SCHEMBL202508 0.76 NOS1 (0.46) NOS1DYRK1ATDO2MAPTKDM4E
SCHEMBL23185496 0.73 BTK (0.57) NOS1CHEK1DYRK1ACHUKTDO2
SCHEMBL27139677 0.73 NOS1 (0.57) NOS1CHUKMAPTKDM4EMEN1
SCHEMBL759126 0.72 NOS1 (0.50) NOS1CHEK1DYRK1AMAPTKDM4E
SCHEMBL23434901 0.72 NOS1 (0.42) NOS1DYRK1ATDO2MAPTKDM4E
SCHEMBL23434988 0.72 TDO2 (0.43) NOS1CHEK1DYRK1ATDO2MAPT

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
CN-118359634-A Pyrazole derivative and medical use thereof 正大天晴药业集团股份有限公司 2024-07-19 CN disclosed
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