SCHEMBL17033701

SCHEMBL17033701

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6nc7c8ccccc8c8ccccc8n7c6cc54)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 3/20 0.33
DHODH Q02127 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 3/20 0.32
ACACA Q13085 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 3/20 0.32
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCL1 Q07820 2/20 0.31

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
SCHEMBL17033666 0.90 MAPT (0.39) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16067136 0.90 KDM4E (0.43) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066954 0.89 KDM4E (0.44) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066491 0.89 KDM4E (0.44) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL17033813 0.88 MAPT (0.40) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16066693 0.88 KDM4E (0.45) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL17033664 0.87 ALDH1A1 (0.35) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL17033710 0.87 KDM4E (0.40) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL17033868 0.86 KDM4E (0.40) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL17033870 0.85 KDM4E (0.38) 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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed