SCHEMBL16066933

SCHEMBL16066933

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7c7nc8ccccc8n67)c54)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 4/20 0.38
CAMKK1 Q8N5S9 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 1/20 0.36
ESR1 P03372 1/20 0.35

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
SCHEMBL16066923 0.99 HPGD (0.43) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066945 0.94 ALDH1A1 (0.40) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066647 0.91 KDM4E (0.44) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066209 0.91 HPGD (0.43) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066936 0.91 KDM4E (0.46) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066922 0.91 ALDH1A1 (0.40) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066943 0.91 HPGD (0.42) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066224 0.90 HPGD (0.42) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066391 0.90 KDM4E (0.45) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL21890334 0.90 KDM4E (0.46) KDM4EHPGDALDH1A1KMT2ASMN1; 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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed