SCHEMBL2929387

SCHEMBL2929387

CCC(CC)c1cc(C)nc2c(-c3sc(COC)nc3Br)c(C)nn12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.36
TSHR P16473 1/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL2494970 0.88 CRHR1 (0.38) CRHR1TSHRMAPTHPGDPOLB
SCHEMBL2497805 0.86 HPGD (0.38) CRHR1TSHRMAPTHPGDPOLB
SCHEMBL2496571 0.86 CRHR1 (0.37) CRHR1MAPTHPGDPOLBKDM4E
SCHEMBL2493277 0.81 CRHR1 (0.38) CRHR1TSHRMAPTHPGDPOLB
SCHEMBL2502974 0.81 KDM4E (0.40) CRHR1TSHRMAPTHPGDPOLB
SCHEMBL2499635 0.80 HPGD (0.34) CRHR1MAPTHPGDPOLBKDM4E
SCHEMBL2931270 0.80 HPGD (0.39) CRHR1TSHRMAPTHPGDPOLB
SCHEMBL545543 0.78 HPGD (0.40) CRHR1TSHRMAPTHPGDPOLB
SCHEMBL22958812 0.78 HPGD (0.35) CRHR1MAPTHPGDPOLBKDM4E
SCHEMBL2500610 0.78 HPGD (0.37) CRHR1MAPTHPGDPOLBKDM4E

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
EP-2094709-B1 THIAZOLE PYRAZOLOPYRIMIDINES AS CRF1 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-09-15 EP disclosed