SCHEMBL16613740

SCHEMBL16613740

Clc1nc(-c2ccccc2)c2cscc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 3/20 0.49
OPRK1 P41145 1/20 0.49
PKM P14618 1/20 0.42
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
NUDT1 P36639 3/20 0.40
ADORA2A P29274 1/20 0.40
MAT2A P31153 1/20 0.38
PDE5A O76074 1/20 0.37
APP P05067 1/20 0.37
MAPK1 P28482 1/20 0.36
TP53 P04637 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
SCHEMBL16613687 0.97 KDM4E (0.54) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL808420 0.80 KDM4E (0.77) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL16613741 0.78 ALDH1A1 (0.38) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL808191 0.77 KDM4E (0.77) KDM4EALDH1A1MAPTLMNAHPGD
Hydrochloric Acid SCHEMBL5803147 0.77 KDM4E (0.72) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL17286874 0.77 KDM4E (0.77) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL5803149 0.75 KDM4E (0.70) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL17367223 0.74 KDM4E (0.71) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL19639039 0.74 KDM4E (0.71) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL20258996 0.74 ALDH1A1 (0.68) KDM4EALDH1A1MAPTLMNAHPGD

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed