SCHEMBL4254166

SCHEMBL4254166

C(=NCCN=Cc1nncc2ccccc12)c1nncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.44
▸ RAB9A P51151 11/20 0.44
▸ MAPT P10636 5/20 0.44
▸ MPO P05164 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ TP53 P04637 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ GOT1 P17174 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ ACOX1 Q15067 1/20 0.42

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
SCHEMBL4254162 1.00 NPC1 (0.44) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL8152019 0.75 NPC1 (0.44) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL291352 0.74 NPC1 (0.47) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL6008542 0.74 NPC1 (0.47) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL5436460 0.74 NPC1 (0.47) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL224748 0.74 NPC1 (0.47) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL4254677 0.74 NCOA3 (0.54) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL4249512 0.73 L3MBTL1 (0.42) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL4249497 0.73 L3MBTL1 (0.42) NPC1RAB9AMAPTMPOMAPK1
SCHEMBL4249502 0.73 L3MBTL1 (0.42) NPC1RAB9AMAPTMPOMAPK1

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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