SCHEMBL17033707

SCHEMBL17033707

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6nc7c8ccccc8c8ccccc8n7c6cc54)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.33
ATM Q13315 1/20 0.33
PTGER4 P35408 3/20 0.31
TLR9 Q9NR96 1/20 0.31
TSHR P16473 1/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL17033763 0.98 KDM4E (0.43) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033843 0.92 KDM4E (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033663 0.91 HPGD (0.34) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033710 0.90 KDM4E (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16067106 0.90 KDM4E (0.46) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033682 0.89 CYP1A1 (0.40) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066992 0.88 KDM4E (0.47) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033668 0.87 DHODH (0.35) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16066546 0.87 KDM4E (0.48) HPGDALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL17033666 0.87 MAPT (0.39) 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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed