SCHEMBL8042545

SCHEMBL8042545

CS(=O)(=O)c1cnc(Sc2nnnn2-c2cccs2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
HTT P42858 8/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 4/20 0.35
HSD17B10 Q99714 3/20 0.35
TP53 P04637 3/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRAF P15056 1/20 0.32
PKM P14618 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
PIP4K2C Q8TBX8 3/20 0.31
PAX8 Q06710 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MITF O75030 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8041889 0.83 LMNA (0.33) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8048309 0.83 ALDH1A1 (0.52) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8046180 0.83 L3MBTL1 (0.39) ALDH1A1HTTMAPTLMNAMAPK1
SCHEMBL8045200 0.82 ALDH1A1 (0.33) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8048098 0.81 HTT (0.31) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8047517 0.81 TP53 (0.34) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8043208 0.80 HSD17B10 (0.36) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8047788 0.80 LMNA (0.31) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8032525 0.79 POLB (0.42) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL8044870 0.79 ALDH1A1 (0.41) ALDH1A1HTTMAPTLMNAHSD17B10

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