SCHEMBL16487804

SCHEMBL16487804

CCc1cc(OC)c2ccc(-c3cc(C)cc(C)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
PTGS2 P35354 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
TDO2 P48775 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA1 P30542 1/20 0.35
GAA P10253 1/20 0.34
CRHR1 P34998 2/20 0.34
POLB P06746 1/20 0.34
PDGFRB P09619 1/20 0.33

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
SCHEMBL16487805 0.88 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL13870820 0.86 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16487806 0.84 TP53 (0.43) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL18876532 0.83 ESR1 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL13870911 0.82 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16488117 0.81 ESR1 (0.46) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16487814 0.81 CRHR1 (0.39) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16487812 0.81 SMN1; SMN2 (0.55) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16487816 0.81 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16487815 0.80 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2LMNAHPGD

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
US-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 US disclosed