SCHEMBL6685170

SCHEMBL6685170

CC(C)n1cc(N)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
AADAT Q8N5Z0 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL28052586 0.83 ADORA2A (0.43) ADORA2AADORA1AADATADORA3
SCHEMBL461470 0.82 KDR (0.30)
SCHEMBL22021178 0.79 ADORA2A (0.41) ADORA2AADORA1AADATADORA3
SCHEMBL1559316 0.79 ADORA2A (0.41) ADORA2AADORA1AADATADORA3
SCHEMBL22536693 0.77 ADORA2A (0.40) ADORA2AADORA1AADATADORA3
SCHEMBL19010802 0.77 ADORA2A (0.51) ADORA2AADORA1AADATADORA3
Hydrochloric Acid SCHEMBL3518233 0.77 ADORA2A (0.40) ADORA2AADORA1AADATADORA3
SCHEMBL20885886 0.77 ADORA2A (0.47) ADORA2AADORA1AADATADORA3
SCHEMBL19887986 0.77 ADORA2A (0.40) ADORA2AADORA1AADATADORA3
SCHEMBL15651724 0.76 ADORA2A (0.42) ADORA2AADORA1AADATADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107361508-B Custom dyeing system 卡拉莱特有限公司 2020-11-03 CN disclosed
CN-111432889-A Assembly comprising at least one dyed substrate and at least one protective substrate comprising one or more preservatives, dispensing device, and dyeing method 欧莱雅 2020-07-17 CN disclosed
WO-2004112736-A1 METHOD AND COMPOSITIONS FOR COLORING HAIR WITH TAURATE COPOLYMERS UNILEVER PLC (GB) 2004-12-29 WO disclosed
WO-2004047780-A1 METHOD AND KIT FOR THE GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2004-06-10 WO disclosed