SCHEMBL8044527

SCHEMBL8044527

CCCCn1nnc(Sc2ncc(S(C)(=O)=O)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
F2 P00734 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TOP2A P11388 1/20 0.33
NPC1 O15118 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL8034002 0.93 LOXL2 (0.32) TOP2ALOXL2
SCHEMBL8045845 0.88 TRPM8 (0.32) LOXL2
SCHEMBL8032788 0.82 PTGS2 (0.33) KMT2ALOXL2
SCHEMBL8034005 0.81 MEN1 (0.34) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL8045587 0.81
SCHEMBL8046313 0.81 ALDH1A1 (0.35) RAB9AALDH1A1KMT2AMAPTF2
SCHEMBL8048224 0.80 RAB9A (0.39) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL8044846 0.79 RAB9A (0.42) RAB9AALDH1A1KMT2AMAPTF2
SCHEMBL8032365 0.78 MAPK8 (0.49) RAB9AALDH1A1KMT2AMAPTF2
SCHEMBL8033250 0.78 HTT (0.41) ALDH1A1KMT2AMAPTMEN1TSHR

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