SCHEMBL29485692

SCHEMBL29485692

c1cncc(CCc2cccnc2)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.74
CYP2A6 P11509 1/20 0.68
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 2/20 0.67
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HRH4 Q9H3N8 2/20 0.64
HRH3 Q9Y5N1 2/20 0.64
HRH1 P35367 2/20 0.63
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
TBXAS1 P24557 3/20 0.57
NAPRT Q6XQN6 1/20 0.56

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
SCHEMBL724866 1.00 CHRNA7 (0.74) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL10452373 0.93 CHRNA7 (0.65) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL8700016 0.93 CYP1A2 (0.66) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL7705277 0.91 CHRNA7 (0.63) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL724788 0.90 TDP1 (0.80) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL29485677 0.90 CYP2A6 (0.76) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL29485675 0.90 TDP1 (0.80) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL2843094 0.90 CYP2A6 (0.76) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL8658187 0.87 HRH1 (0.81) CHRNA7CYP2A6CYP1A2CYP2D6TDP1
SCHEMBL29485667 0.87 HRH1 (0.81) CHRNA7CYP2A6CYP1A2CYP2D6TDP1

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-114420633-A Copper deposition in wafer level packaging of integrated circuits 麦克德米德乐思公司 2022-04-29 CN disclosed