SCHEMBL7716586

SCHEMBL7716586

Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
ALDH1A1 P00352 7/20 1.00
HPGD P15428 6/20 1.00
HSD17B10 Q99714 6/20 1.00
NPC1 O15118 10/20 0.74
RAB9A P51151 10/20 0.74
TP53 P04637 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
MAPT P10636 2/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
LMNA P02545 3/20 0.71
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
POLB P06746 1/20 0.67
THRB P10828 1/20 0.61
RAD51 Q06609 1/20 0.57

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
SCHEMBL7711788 0.78 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL461294 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL7715678 0.75 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL2268958 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL7711854 0.73 RAB9A (0.59) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL10631888 0.72 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL2270814 0.72 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL7711791 0.72 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL10630084 0.72 TYMP (1.00) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL9840133 0.70 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10NPC1

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
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 EP claimed
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US disclosed