SCHEMBL16066419

SCHEMBL16066419

c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5cc6c7ccccc7c7nc8ccccc8n7c6cc54)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.36
CAMKK1 Q8N5S9 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
GLA P06280 1/20 0.33
COMT P21964 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 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
SCHEMBL16066425 0.99 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16066554 0.98 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16066683 0.95 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16066151 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16067170 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16066559 0.89 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16067137 0.89 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16066543 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL17033868 0.88 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16066418 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTLMNA

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed