SCHEMBL5334377

SCHEMBL5334377

CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
LMNA P02545 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.66
TSHR P16473 3/20 0.61
MAPK1 P28482 2/20 0.61
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
HSD17B10 Q99714 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
USP2 O75604 1/20 0.60
HTT P42858 1/20 0.55
MAPT P10636 3/20 0.54

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
SCHEMBL18556577 0.94 POLB (0.73) POLBLMNAL3MBTL1TSHRMAPK1
SCHEMBL5333083 0.84 MAPT (0.68) POLBLMNAL3MBTL1TSHRMAPK1
SCHEMBL5332243 0.84 ALDH1A1 (0.67) POLBLMNAL3MBTL1TSHRMAPK1
SCHEMBL5331484 0.83 ALDH1A1 (0.66) POLBLMNAL3MBTL1TSHRMAPK1
SCHEMBL14478938 0.83 ALDH1A1 (0.66) POLBLMNAL3MBTL1TSHRMAPK1
SCHEMBL5334648 0.82 MEN1 (0.81) POLBL3MBTL1TSHRMAPK1ALDH1A1
SCHEMBL6408488 0.82 ALDH1A1 (0.70) POLBLMNAL3MBTL1TSHRALDH1A1
SCHEMBL15983469 0.80 POLB (1.00) POLBLMNAL3MBTL1TSHRALDH1A1
SCHEMBL27175659 0.80 ALDH1A1 (0.62) POLBL3MBTL1TSHRMAPK1ALDH1A1
SCHEMBL29609536 0.80 POLB (0.68) POLBLMNAL3MBTL1TSHRMAPK1

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-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed