SCHEMBL9408907

SCHEMBL9408907

C=CCNc1c(F)cccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
HPGD P15428 8/20 0.35
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 7/20 0.35
GAA P10253 4/20 0.35
GLA P06280 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34

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
SCHEMBL3618684 0.73 KDM4E (0.56) L3MBTL1HPGDALDH1A1KDM4EGAA
SCHEMBL12844265 0.72 LRRK2 (0.39) L3MBTL1ALDH1A1KDM4ELRRK2SMN1; SMN2
SCHEMBL8930739 0.71 ALDH1A1 (0.40) L3MBTL1HPGDALDH1A1KDM4EGAA
SCHEMBL9432628 0.68 RAB9A (0.50) L3MBTL1HPGDALDH1A1KDM4EGAA
SCHEMBL197559 0.68 LRRK2 (0.48) HPGDALDH1A1LRRK2SMN1; SMN2RAB9A
SCHEMBL27711178 0.67 RAB9A (0.39) HPGDALDH1A1KDM4EGAAMAPT
SCHEMBL21995607 0.67 KMT2A (0.45) L3MBTL1ALDH1A1KDM4EGAARAB9A
SCHEMBL9353795 0.66 SMN1; SMN2 (0.50) L3MBTL1HPGDALDH1A1KDM4EGAA
SCHEMBL4266239 0.66 CYP11B1 (0.36) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL10803722 0.66 CA12 (0.34) L3MBTL1HPGDALDH1A1KDM4EGAA

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
EP-0623601-A1 N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-11-09 EP disclosed