SCHEMBL8048138

SCHEMBL8048138

Cc1nc(Sc2nc(CC(=O)O)cs2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HSD17B10 Q99714 3/20 0.44
GABRA5 P31644 1/20 0.44
GABRB2 P47870 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 7/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8044866 0.77 GRK6 (0.62) HSD17B10GABRA5GABRB2KDM4EALDH1A1
SCHEMBL8042767 0.77 HSD17B10 (0.45) HSD17B10GABRA5GABRB2EGLN1KDM4E
SCHEMBL8042478 0.75 GAA (0.49) HSD17B10GABRA5GABRB2KDM4EALDH1A1
SCHEMBL9332045 0.75 HSD17B10 (0.56) HSD17B10GABRA5GABRB2EGLN1KDM4E
SCHEMBL10361187 0.74 HSD17B10 (0.59) HSD17B10GABRA5GABRB2EGLN1KDM4E
SCHEMBL856450 0.72 GABRA5 (0.61) POLBHSD17B10GABRA5GABRB2KDM4E
SCHEMBL8033980 0.72 HSD17B10 (0.43) POLBHSD17B10GABRA5GABRB2EGLN1
SCHEMBL9332036 0.71 HSD17B10 (0.56) HSD17B10GABRA5GABRB2EGLN1KDM4E
SCHEMBL8043845 0.71 HSD17B10 (0.45) HSD17B10GABRA5GABRB2EGLN1KDM4E
SCHEMBL8048752 0.71 HSD17B10 (0.42) HSD17B10GABRA5GABRB2KDM4EALDH1A1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed