SCHEMBL16066480

SCHEMBL16066480

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n7c8ccccc8nc67)c54)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
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
MEN1 O00255 4/20 0.37
CAMKK1 Q8N5S9 2/20 0.37
CAMKK2 Q96RR4 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 1/20 0.37
FLT3 P36888 2/20 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
SCHEMBL16066352 0.99 HPGD (0.43) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066452 0.94 HPGD (0.40) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066223 0.92 HPGD (0.41) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066669 0.91 HPGD (0.41) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066503 0.91 HPGD (0.41) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066919 0.90 HPGD (0.42) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066754 0.89 HPGD (0.43) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066411 0.89 HPGD (0.43) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066125 0.89 HPGD (0.44) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066689 0.88 HPGD (0.43) HPGDKDM4EALDH1A1KMT2ASMN1; 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