SCHEMBL16613668

SCHEMBL16613668

Clc1nc(-c2cccc3ccccc23)c2ccn(-c3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
GSK3B P49841 2/20 0.34
RIPK2 O43353 1/20 0.34
PRKD3 O94806 1/20 0.34
ABL1 P00519 1/20 0.34
FYN P06241 1/20 0.34
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34
CSK P41240 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1D P48730 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 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
SCHEMBL29516256 0.81 KDM4E (0.47) KDM4EPOLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL16613618 0.81 KDM4E (0.47) KDM4EPOLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL16613290 0.80 KDM4E (0.37) KDM4EPOLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL16613450 0.79 KDM4E (0.45) KDM4EPOLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL29680966 0.76 KDM4E (0.42) KDM4EPOLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL16613357 0.76 KDM4E (0.42) KDM4EPOLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL16613312 0.75 KDM4E (0.36) KDM4EPOLBCTDSP1ALDH1A1SMN1; SMN2
SCHEMBL15860268 0.75 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL29572574 0.75 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL24528706 0.74 KDM4E (0.33) KDM4EPOLBCTDSP1ATM

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