SCHEMBL17033702

SCHEMBL17033702

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6cc7c8ccccc8c8ccccc8n7c6c54)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FGFR1 P11362 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PDE5A O76074 1/20 0.31
GBA1 P04062 1/20 0.31
GAA P10253 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
TLR9 Q9NR96 1/20 0.30
NTSR1 P30989 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
SCHEMBL17033640 0.97 KDM4E (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033604 0.93 GP6 (0.33) KDM4ETSHRHSD17B10FGFR1
SCHEMBL17033625 0.92 ATM (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033641 0.91 PDE10A (0.34) MEN1KMT2AALDH1A1ATMPDE5A
SCHEMBL17033656 0.90 ATM (0.37) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033633 0.89 L3MBTL1 (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033605 0.89 PDE10A (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16067124 0.88 ATM (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033645 0.88 KDM4E (0.33) KMT2AATMKDM4EFGFR1L3MBTL1
SCHEMBL17033635 0.88 CYP1A1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD

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