SCHEMBL16066352

SCHEMBL16066352

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n6c7ccccc7nc56)c43)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.38
POLB P06746 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
CAMKK1 Q8N5S9 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
BCL2 P10415 1/20 0.36

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
SCHEMBL16066480 0.99 HPGD (0.42) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066452 0.95 HPGD (0.40) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066223 0.93 HPGD (0.41) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066919 0.91 HPGD (0.42) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066669 0.90 HPGD (0.41) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066503 0.90 HPGD (0.41) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066411 0.90 HPGD (0.43) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066689 0.88 HPGD (0.43) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066528 0.88 ALDH1A1 (0.38) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL16066347 0.88 KDM4E (0.45) HPGDKDM4EALDH1A1MAPTPOLB

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