SCHEMBL17033656

SCHEMBL17033656

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6cc7c8ccccc8c8ccccc8n7c6c54)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 6/20 0.33
RXRA P19793 1/20 0.33
MEN1 O00255 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 1/20 0.31
PDE5A O76074 1/20 0.31
GBA1 P04062 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
IL1R1 P14778 1/20 0.31
APOBEC3G Q9HC16 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL17033625 0.99 ATM (0.36) ATML3MBTL1KDM4EKMT2ARXRA
SCHEMBL17033645 0.94 KDM4E (0.33) ATML3MBTL1KDM4EKMT2ARXRA
SCHEMBL17033605 0.91 PDE10A (0.34) ATML3MBTL1KDM4EKMT2AMEN1
SCHEMBL17033601 0.91 KDM4E (0.36) ATML3MBTL1KDM4EKMT2AMEN1
SCHEMBL17033702 0.90 MEN1 (0.33) ATML3MBTL1KDM4EKMT2AMEN1
SCHEMBL17033640 0.90 KDM4E (0.33) ATML3MBTL1KDM4EKMT2AMEN1
SCHEMBL16067143 0.89 ATM (0.36) ATML3MBTL1KDM4EKMT2ARXRA
SCHEMBL17033660 0.89 KDM4E (0.34) ATML3MBTL1KDM4EKMT2AMEN1
SCHEMBL21365593 0.87 L3MBTL1 (0.48) ATML3MBTL1KDM4EKMT2ARXRA
SCHEMBL17033677 0.87 ALDH1A1 (0.38) ATML3MBTL1KDM4EKMT2AMEN1

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