SCHEMBL13153265

SCHEMBL13153265

CCn1cc(C2=NOC(c3ccc(OC)cc3)C2)c2ccc(OC)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.58
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MKNK2 Q9HBH9 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOB P27338 1/20 0.37
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL984051 0.69 MKNK2 (0.41) KDM4EALDH1A1TSHRGAAHSD17B10
SCHEMBL10095290 0.69 RAB9A (0.46) KDM4EALDH1A1TSHRHSD17B10NPC1
SCHEMBL982072 0.68 MKNK2 (0.42) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL980446 0.68 NPC1 (0.50) PTPN1ALDH1A1HSD17B10NPC1MAPT
SCHEMBL10095258 0.68 GABRA1 (0.45) KDM4EALDH1A1TSHRGAAHSD17B10
SCHEMBL982376 0.68 ALDH1A1 (0.40) KDM4EALDH1A1TSHRHSD17B10NPC1
SCHEMBL2433501 0.67 ALDH1A1 (0.50) KDM4EALDH1A1TSHRGAAHSD17B10
SCHEMBL982663 0.67 NOTUM (0.52) KDM4EALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL980895 0.67 MAPT (0.48) KDM4EALDH1A1TSHRGAAHSD17B10
SCHEMBL7850213 0.67 HTR6 (0.49) KDM4EALDH1A1TSHRGAAHSD17B10

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed