SCHEMBL16613527

SCHEMBL16613527

CC1(C)C=Cc2c(-c3ccc(-c4ccccc4)cc3)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 7/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
GAA P10253 1/20 0.36
OPRK1 P41145 1/20 0.35
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
DHODH Q02127 4/20 0.32
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL16613452 0.97 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL31201811 0.69 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL23112253 0.69 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL23070173 0.66 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL23009764 0.65 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL808191 0.64 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL17286874 0.64 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL26350944 0.64 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL12014939 0.64 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL20721651 0.63 KDM4E (0.55) KDM4EALDH1A1LMNAHPGDSMN1; 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
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed