SCHEMBL27680672

SCHEMBL27680672

Nc1[nH]nnc1-c1ncco1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL2348095 0.69 HPGDS (0.33) HPGDSLTA4H
SCHEMBL100765 0.67 HPGDS (0.46) HPGDSADORA2AADORA1LTA4H
SCHEMBL12747064 0.64 HPGDS (0.33) HPGDSLTA4H
SCHEMBL22557217 0.64 HPGDS (0.40) HPGDSADORA3ADORA2AADORA2BADORA1
SCHEMBL4784703 0.64 AXL (0.48)
SCHEMBL23294547 0.63 LTA4H (0.41) HPGDSLTA4H
SCHEMBL22638176 0.63 KDM4E (0.43) HPGDSADORA2AADORA1LTA4H
SCHEMBL912864 0.63 LTA4H (0.37) HPGDSLTA4H
SCHEMBL28395750 0.62 LTA4H (0.36) HPGDSLTA4H
SCHEMBL7100549 0.61 CCNC (0.32) HPGDSLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1925833-A Keratin dyeing compounds, keratin dyeing compositions containing them, and their use PROCTER & GAMBLE (US) 2007-03-07 CN disclosed