SCHEMBL8047154

SCHEMBL8047154

CCCc1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 6/20 0.34
RECQL P46063 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
USP7 Q93009 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL8041916 0.94 MAPT (0.35) MAPTALDH1A1AGTR1AGTR2KDM4E
SCHEMBL8047155 0.90 MAPT (0.37) MAPTALDH1A1AGTR1AGTR2KDM4E
SCHEMBL8043964 0.89 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8044470 0.88 MAPT (0.33) MAPTALDH1A1POLBUSP7SMN1; SMN2
SCHEMBL8043579 0.86 MAPT (0.35) MAPTALDH1A1AGTR1AGTR2POLB
SCHEMBL8043686 0.86 ALDH1A1 (0.37) MAPTALDH1A1RECQLKDM4ETSHR
SCHEMBL8046194 0.85 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8032914 0.84 MAPT (0.35) MAPTALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL8048431 0.84 RAB9A (0.41) MAPTALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL8034362 0.83 F2 (0.39) MAPTALDH1A1POLBUSP7

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