SCHEMBL5333083

SCHEMBL5333083

CCOC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
ALDH1A1 P00352 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HPGD P15428 3/20 0.68
HSD17B10 Q99714 3/20 0.68
TSHR P16473 3/20 0.68
PKM P14618 1/20 0.68
USP2 O75604 1/20 0.68
MAPK1 P28482 1/20 0.67
POLB P06746 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 3/20 0.65
CDC25A P30304 1/20 0.62
CDC25B P30305 1/20 0.62
ALOX15 P16050 1/20 0.59
RXFP1 Q9HBX9 2/20 0.58
THRB P10828 1/20 0.58
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL5332243 0.92 ALDH1A1 (0.67) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5331484 0.91 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6408488 0.90 ALDH1A1 (0.70) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6404543 0.90 MAPT (0.64) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL14478938 0.89 ALDH1A1 (0.66) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5338687 0.87 MAPT (0.76) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6403936 0.85 TSHR (0.64) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL18556577 0.84 POLB (0.73) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5334377 0.84 POLB (0.67) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL27175659 0.84 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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