SCHEMBL10016924

SCHEMBL10016924

C1=C(c2ccncc2)NCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.39
▸ CDC7 O00311 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ PDPK1 O15530 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ PLD1 Q13393 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ PKN2 Q16513 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL10017087 0.81 NISCH (0.42) MAPTNISCHNOTUMGAAKDM4E
SCHEMBL23018489 0.68 MAOA (0.42) MAPTLMNAPDPK1KDM4ECYP3A4
SCHEMBL8458131 0.67 KDM4E (0.46) MAPTLMNANISCHTP53PKM
SCHEMBL2173463 0.65 KDR (0.51) MAPTLMNANOTUMMAPK14KDR
Dihydronicotyrine SCHEMBL1207625 0.64 CYP2A6 (0.52) MAPTLMNANISCHTP53KDM4E
SCHEMBL17549801 0.64 LMNA (0.42) MAPTLMNANISCHNOTUMPDPK1
SCHEMBL27359997 0.62 MAPT (0.53) MAPTLMNANISCHNOTUMPDPK1
SCHEMBL9728 0.61 MAPT (1.00) MAPTLMNANOTUMPDPK1GAA
SCHEMBL4790041 0.61 ADRA2A (0.56) MAPTLMNANISCHPKN2
SCHEMBL22673876 0.60 LMNA (0.37) MAPTLMNANISCHNOTUMPDPK1

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
WO-2012005214-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME JNC株式会社 (JP) 2012-01-12 — — WO disclosed
Send feedback