SCHEMBL8043559

SCHEMBL8043559

Cn1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.32
USP7 Q93009 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 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
SCHEMBL8709917 0.87 LMNA (0.33) MAPTALDH1A1POLBNPC1
SCHEMBL8042872 0.85 MAPT (0.33) MAPTALDH1A1POLBUSP7
SCHEMBL8041804 0.85 RAB9A (0.33) MAPTALDH1A1NPC1
SCHEMBL8048153 0.84 MAPT (0.32) MAPTALDH1A1POLB
SCHEMBL8050861 0.84 MAPT (0.32) MAPTALDH1A1POLBNPC1
SCHEMBL8042982 0.83 KMT2A (0.35) MAPTALDH1A1NPC1
SCHEMBL8032541 0.82 LMNA (0.33) MAPT
SCHEMBL8048326 0.78 TP53 (0.37) MAPTALDH1A1POLBNPC1
SCHEMBL8052295 0.78 RAB9A (0.40) MAPTALDH1A1NPC1
SCHEMBL8051249 0.78 RAB9A (0.35) MAPTALDH1A1POLBNPC1

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