SCHEMBL16066366

SCHEMBL16066366

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8c8nc9ccccc9n8c7c65)cc4)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 3/20 0.36
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP7 P55210 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL16066344 0.95 KDM4E (0.47) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066410 0.93 HPGD (0.43) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066374 0.93 HPGD (0.43) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066338 0.90 KDM4E (0.45) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066945 0.90 ALDH1A1 (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066356 0.89 HPGD (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066294 0.89 ALDH1A1 (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066165 0.88 ALDH1A1 (0.39) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066684 0.88 KDM4E (0.43) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066348 0.87 KDM4E (0.48) HPGDALDH1A1KDM4EKMT2ASMN1; 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