SCHEMBL4254677

SCHEMBL4254677

C(=N\CC/N=C\c1nccc2ccccc12)\c1nccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ S100A4 P26447 1/20 0.44
▸ NQO2 P16083 1/20 0.44
▸ PLAU P00749 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ F12 P00748 1/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ PLG P00747 1/20 0.41
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ GOPC Q9HD26 1/20 0.37

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
SCHEMBL4254681 1.00 NCOA3 (0.54) NCOA3S100A4NQO2PLAUCYP2A6
SCHEMBL29846704 0.80 NCOA3 (0.59) NCOA3S100A4NQO2PLAUCYP2A6
SCHEMBL11723189 0.80 NCOA3 (0.59) NCOA3S100A4NQO2PLAUCYP2A6
SCHEMBL11723196 0.80 NCOA3 (0.59) NCOA3S100A4NQO2PLAUCYP2A6
SCHEMBL731892 0.74 CYP2A6 (0.52) NCOA3S100A4NQO2PLAUCYP2A6
SCHEMBL4254166 0.74 NPC1 (0.44) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL4254162 0.74 NPC1 (0.44) MAPTRAB9ALMNANPC1ALDH1A1
SCHEMBL25417027 0.73 PLAU (0.50) NCOA3S100A4NQO2PLAUCYP2A6
SCHEMBL895053 0.73 PLAU (0.50) NCOA3S100A4NQO2PLAUCYP2A6
SCHEMBL34473205 0.73 PLAU (0.50) NCOA3S100A4NQO2PLAUCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 — — US claimed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 — — US claimed
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 — — US disclosed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 — — US disclosed
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