SCHEMBL8041889

SCHEMBL8041889

Cc1ccc(-n2nnnc2Sc2ncc(S(C)(=O)=O)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
TP53 P04637 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 3/20 0.33
MAPK1 P28482 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PTGS2 P35354 3/20 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
SCHEMBL8045200 0.88 ALDH1A1 (0.33) LMNATP53MAPTALDH1A1HTT
SCHEMBL8044381 0.84 ALDH1A1 (0.36) LMNAMAPTALDH1A1HTTMAPK1
SCHEMBL8042545 0.83 ALDH1A1 (0.36) LMNATP53MAPTALDH1A1HTT
SCHEMBL8047788 0.83 LMNA (0.31) LMNATP53MAPTALDH1A1HTT
SCHEMBL8048309 0.81 ALDH1A1 (0.52) LMNATP53MAPTALDH1A1HTT
SCHEMBL8032847 0.81 ALDH1A1 (0.36) LMNATP53MAPTALDH1A1HTT
SCHEMBL8050190 0.80 ALDH1A1 (0.40) LMNATP53MAPTALDH1A1HTT
SCHEMBL8042066 0.80 RXRA (0.39) LMNATP53MAPTALDH1A1HTT
SCHEMBL8033930 0.79 ALDH1A1 (0.39) LMNATP53MAPTALDH1A1HTT
SCHEMBL8050814 0.79 MAPK8 (0.44) LMNAMAPTALDH1A1HTTMAPK1

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