SCHEMBL11567441

SCHEMBL11567441

N#CCc1cccc2c1=NC(=O)N=2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36

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
SCHEMBL3232243 0.78 GABRA1 (0.45)
SCHEMBL8023202 0.76 CYP19A1 (0.36) ALDH1A1
SCHEMBL8932159 0.75 TDP1 (0.30)
SCHEMBL6208851 0.74 GABRA1 (0.36)
SCHEMBL8301431 0.74
SCHEMBL28183864 0.74
SCHEMBL27950278 0.72 CASP1 (0.32) ALDH1A1
SCHEMBL6647064 0.72
SCHEMBL3059394 0.72 GABRA1 (0.41) ALDH1A1HPGD
SCHEMBL15822716 0.72 CTRC (0.40)

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
US-4141881-A PERYLENE-3,4,9,10-TETRACARBOXYLIC PIGMENT MIXTURE WITH DYE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed