SCHEMBL15699050

SCHEMBL15699050

CNc1ccc(Nc2cccc(N)n2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ NUDT1 P36639 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ BIRC2 Q13490 1/20 0.40
▸ NCF1 P14598 3/20 0.38
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ DHFR P00374 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL690670 0.84 — —
SCHEMBL9878020 0.75 SCN9A (0.53) KCNH2SCN5ASCN9AXIAPBIRC2
SCHEMBL10094605 0.72 HTT (0.49) NUDT1SCN9AXIAPBIRC2NOS3
SCHEMBL10094185 0.69 XIAP (0.45) SCN9AXIAPBIRC2NOS3NOS2
SCHEMBL318096 0.69 KCNH2 (0.57) KCNH2SCN5ANCF1NOS3NOS2
SCHEMBL4667882 0.68 SCN9A (0.44) SCN9AXIAPBIRC2NOS3NOS2
SCHEMBL24160900 0.68 NCF1 (0.45) KCNH2SCN5ANUDT1NCF1NOS3
SCHEMBL29466334 0.67 MAPT (0.72) SCN5ASCN9AALDH1A1DHFRKDM4E
SCHEMBL7346798 0.67 MAPT (0.72) SCN5ASCN9AALDH1A1DHFRKDM4E
SCHEMBL13802927 0.67 SCN9A (0.43) SCN9AXIAPBIRC2NCF1NOS3

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-20140131197-A1 CARBON DIOXIDE ENRICHMENT DEVICE PANASONIC CORPORATION (JP) 2014-05-15 — — US disclosed
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