SCHEMBL14196859

SCHEMBL14196859

c1ccc(N(/N=C2/c3ccccc3-c3nn(CC4CO4)c4cccc2c34)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.34
▸ DHFR P00374 1/20 0.32
▸ MAPK13 O15264 1/20 0.30
▸ EIF2AK2 P19525 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ TOP2A P11388 2/20 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
SCHEMBL4846358 0.77 EIF2AK2 (0.53) DHFRMAPK13EIF2AK2MAPK12MAPK11
SCHEMBL12083845 0.64 LRRK2 (0.55) LRRK2
SCHEMBL4850756 0.56 POLB (0.43) DHFR
SCHEMBL4850760 0.56 POLB (0.43) DHFR
SCHEMBL4814026 0.55 DHFR (0.47) DHFR
SCHEMBL14196855 0.55 USP2 (0.42) DHFR
SCHEMBL4823145 0.55 CYP1A2 (0.48) DHFR
SCHEMBL4820619 0.55 CYP1A2 (0.48) DHFR
SCHEMBL11120339 0.54 EIF2AK2 (0.62) MAPK13EIF2AK2MAPK12MAPK11MAPK14
SCHEMBL15380522 0.54 DHFR (0.79) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 — — US disclosed
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 — — US disclosed
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