SCHEMBL6566313

SCHEMBL6566313

Cn1cc(N)c(-c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
DRD4 P21917 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ADCY10 Q96PN6 1/20 0.42
TLR8 Q9NR97 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
DPP4 P27487 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PLA2G7 Q13093 2/20 0.39
HPGD P15428 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
MGLL Q99685 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
SCHEMBL15428612 0.82 ADORA2A (0.42) DRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL406731 0.79 MMP12 (0.46) HSD11B1SMN1; SMN2ALDH1A1LMNAADCY10
SCHEMBL6835004 0.79 HSD11B1 (0.49) HSD11B1RAB9AALDH1A1LMNATSHR
SCHEMBL544412 0.76 KDM4E (0.47) DRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15093845 0.75 HSD11B1 (0.42) HSD11B1DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL27540656 0.75 MAPK13 (0.59)
SCHEMBL15277943 0.75 PLA2G7 (0.45) HSD11B1DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL1802348 0.74 HSD11B1 (0.44) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6689898 0.74 DRD4 (0.41) HSD11B1DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL12528323 0.73 PLA2G7 (0.44) HSD11B1DRD4SMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO claimed
EP-1404288-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2004-04-07 EP disclosed
EP-1345580-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2003-09-24 EP disclosed
WO-2002051372-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2002-07-04 WO disclosed
WO-2002051373-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2002-07-04 WO disclosed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP disclosed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO disclosed
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO disclosed