SCHEMBL17033604

SCHEMBL17033604

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5ccc6cc7c8ccccc8c8ccccc8n7c6c54)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.33
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FGFR1 P11362 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
SCHEMBL17033702 0.93 MEN1 (0.33) KDM4ETSHRHSD17B10FGFR1
SCHEMBL17033640 0.93 KDM4E (0.33) KDM4ETSHRHSD17B10
SCHEMBL16067195 0.91 GP6 (0.33) GP6PTPN1
SCHEMBL17033645 0.90 KDM4E (0.33) GP6KDM4EFGFR1
SCHEMBL17033627 0.90 AKR1C3 (0.30) KDM4ETSHRHSD17B10
SCHEMBL17033660 0.89 KDM4E (0.34) KDM4ETSHR
SCHEMBL24691292 0.88 L3MBTL1 (0.36) GP6KDM4E
SCHEMBL17033658 0.87 MCL1 (0.37) KDM4E
SCHEMBL17033437 0.87 KDM4E (0.31) GP6KDM4ETSHRHSD17B10
SCHEMBL17033605 0.86 PDE10A (0.34) KDM4ETSHRFGFR1

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