SCHEMBL4756537

SCHEMBL4756537

Cc1[c]sc(-c2cccc(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
ACHE P22303 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
JAK2 O60674 1/20 0.34
IDO1 P14902 2/20 0.34
NOTUM Q6P988 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL4756578 0.83 TYK2 (0.37) HSD17B1HSD17B2ACHEKDM4EMEN1
SCHEMBL694645 0.83 HSD17B1 (0.35) HSD17B1HSD17B2ESR2KDM4EMEN1
SCHEMBL4757273 0.81 ACHE (0.41) HSD17B1HSD17B2ACHEMEN1KMT2A
SCHEMBL4757901 0.79 ESR2 (0.42) HSD17B1HSD17B2TAAR1ESR2KMT2A
SCHEMBL4754741 0.76 CYP1A1 (0.47) HSD17B1HSD17B2ACHEMAPTGAA
SCHEMBL694864 0.75 ESR1 (0.37) HSD17B1HSD17B2ACHEESR2KDM4E
SCHEMBL4757541 0.72 MAPT (0.37) KDM4EMEN1MAPTKMT2AGAA
SCHEMBL9955273 0.71 HSD17B1 (0.45) HSD17B1HSD17B2ACHETAAR1ESR2
SCHEMBL5254457 0.71 ESR2 (0.36) ESR2
SCHEMBL1416554 0.70 HSD17B1 (0.47) HSD17B1HSD17B2TAAR1ESR2KDM4E

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-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed