SCHEMBL7581326

SCHEMBL7581326

Nc1ccc2[nH]nc(CC(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HPGD P15428 2/20 0.44
CYP2C19 P33261 1/20 0.44
GSK3B P49841 2/20 0.43
AXL P30530 1/20 0.43
NGFR P08138 1/20 0.41
ULK1 O75385 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
PDPK1 O15530 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
SCHEMBL6016427 0.82 SMN1; SMN2 (0.53) LMNAHPGDGSK3BAXLULK1
SCHEMBL11756961 0.81 PDPK1 (0.51) LMNAHPGDCYP2C19GSK3BAXL
SCHEMBL3363383 0.81 LMNA (0.49) LMNAHPGDGSK3BALDH1A1MAPT
SCHEMBL14979246 0.81 TSHR (0.54) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL30965223 0.81 TSHR (0.54) LMNAHPGDALDH1A1MAPTKDM4E
SCHEMBL3589720 0.80 GSK3B (0.47) HPGDGSK3BAXLULK1ALDH1A1
SCHEMBL10931244 0.80 LMNA (0.48) LMNAHPGDGSK3BALDH1A1MAPT
SCHEMBL10927575 0.80 LMNA (0.48) LMNAHPGDGSK3BALDH1A1MAPT
SCHEMBL4215847 0.78 GSK3B (0.49) HPGDGSK3BAXLALDH1A1MAPT
SCHEMBL30965201 0.78 KDM4E (0.57) LMNAHPGDGSK3BALDH1A1MAPT

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 2 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 disclosed