SCHEMBL8042478

SCHEMBL8042478

Cc1nnc(Sc2nc(CC(=O)O)cs2)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL8044307 0.84 HSD17B10 (0.47) GAAGABRA5GABRB2HSD17B10MAPT
SCHEMBL8042682 0.83 HSD17B10 (0.44) GAAL3MBTL1GABRA5GABRB2HSD17B10
SCHEMBL8031866 0.83 HSD17B10 (0.58) GAAGABRA5GABRB2HSD17B10TSHR
SCHEMBL8032510 0.82 HSD17B10 (0.43) GAAGABRA5GABRB2HSD17B10MAPT
SCHEMBL8043066 0.82 ALDH1A1 (0.43) GAAGABRA5GABRB2HSD17B10TSHR
SCHEMBL8044290 0.82 HSD17B10 (0.45) GAAGABRA5GABRB2HSD17B10MAPT
SCHEMBL8050460 0.81 HSD17B10 (0.42) GAAGABRA5GABRB2HSD17B10GLA
SCHEMBL8032524 0.80 ALDH1A1 (0.41) GAAL3MBTL1GABRA5GABRB2HSD17B10
SCHEMBL8051387 0.80 HSD17B10 (0.41) GAAL3MBTL1GABRA5GABRB2HSD17B10
SCHEMBL8032606 0.80 HSD17B10 (0.43) GAAGABRA5GABRB2HSD17B10MAPT

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