SCHEMBL12434731

SCHEMBL12434731

O=N[C@H](CN1CCCC1)c1c2ccccc2cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.41
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ERN1 O75460 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MITF O75030 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.36
RAD52 P43351 1/20 0.36
CRHBP P24387 1/20 0.35

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
SCHEMBL12434733 0.79 SLC6A9 (0.44) SLC6A9MAPTMEN1KMT2APOLB
SCHEMBL12434734 0.77 SLC6A9 (0.50) SLC6A9MAPTMEN1KMT2APOLB
SCHEMBL31090415 0.66 CRHBP (0.66) MAPTMEN1KMT2AERN1POLB
SCHEMBL12826492 0.62 POLB (0.52) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL12434732 0.62 L3MBTL1 (0.56) SLC6A9MAPTPOLBKDM4EALDH1A1
SCHEMBL7193788 0.62 L3MBTL1 (0.56) SLC6A9MAPTPOLBKDM4EALDH1A1
SCHEMBL8720249 0.62 ALDH1A1 (0.46) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL10706138 0.61 HRH3 (0.52) SLC6A9POLBALDH1A1LMNAHRH3
SCHEMBL10693530 0.61 TDP1 (0.58) KDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL18175759 0.60 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed