SCHEMBL10282012

SCHEMBL10282012

C/C=C\C=C(/C)c1cnc2ccccc2c1NCC1CCCN1CC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAP3K8 P41279 2/20 0.39
VNN1 O95497 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL529636 0.76 RAB9A (0.48) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL529762 0.74 ACHE (0.42) ACHEKDM4EALDH1A1HSD17B10LMNA
SCHEMBL22639730 0.68 ACHE (0.51) ACHEKDM4EALDH1A1HSD17B10LMNA
SCHEMBL15191122 0.67 MAPK1 (0.63) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL15191140 0.66 MEN1 (0.49) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL2104807 0.65 JAK2 (0.57)
SCHEMBL13118498 0.65 ACHE (0.61) ACHEKDM4EALDH1A1HSD17B10LMNA
SCHEMBL1088557 0.64 MRGPRX1 (0.51) ACHEKDM4EALDH1A1HSD17B10LMNA
SCHEMBL22201647 0.64 HPGD (0.54) ACHEKDM4EALDH1A1HSD17B10LMNA
SCHEMBL1088730 0.64 MRGPRX1 (0.50) ACHEKDM4EALDH1A1HSD17B10LMNA

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-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed