SCHEMBL8043579

SCHEMBL8043579

O=C(O)c1sc(Sc2nnc(CO)s2)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.34
USP7 Q93009 1/20 0.32
POLB P06746 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 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
SCHEMBL8043964 0.90 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8046194 0.88 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8047155 0.88 MAPT (0.37) MAPTALDH1A1USP7POLBAGTR1
SCHEMBL8713530 0.87 GABRA5 (0.34) MAPTALDH1A1
SCHEMBL8034362 0.86 F2 (0.39) MAPTALDH1A1USP7POLB
SCHEMBL8044470 0.86 MAPT (0.33) MAPTALDH1A1USP7POLB
SCHEMBL8047154 0.86 MAPT (0.36) MAPTALDH1A1USP7POLBAGTR1
SCHEMBL8041916 0.85 MAPT (0.35) MAPTALDH1A1AGTR1AGTR2
SCHEMBL8032914 0.85 MAPT (0.35) MAPTALDH1A1POLB
SCHEMBL8042772 0.83 MAPT (0.41) MAPTALDH1A1POLB

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