SCHEMBL27690646

SCHEMBL27690646

NC(=O)N(N)c1ccc(N(N)C(N)=O)c2sc(N(CCO)CCO)nc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
TP53 P04637 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
SCHEMBL27690637 0.78
SCHEMBL5502479 0.70 SLC29A1 (0.30)
SCHEMBL5505358 0.64 MAPK1 (0.38) ADORA2AADORA2BADORA1
SCHEMBL5500618 0.63 SMN1; SMN2 (0.38) ADORA2AADORA2BADORA1
SCHEMBL5509108 0.63 SMN1; SMN2 (0.38)
SCHEMBL5999783 0.59 KDM4E (0.32)
SCHEMBL27625845 0.57 ALOX5 (0.34)
SCHEMBL28084080 0.57 KCNN4 (0.31)
SCHEMBL5486471 0.56 ALDH1A1 (0.53)
SCHEMBL17774798 0.56 MAPT (0.41)

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
CN-101107044-A Keratin dyeing compositions comprising benzothiazole-4-, 7-diamines and their use PROCTER & GAMBLE (US) 2008-01-16 CN claimed
CN-101107044-A Keratin dyeing compositions comprising benzothiazole-4-, 7-diamines and their use PROCTER & GAMBLE (US) 2008-01-16 CN disclosed