SCHEMBL8043035

SCHEMBL8043035

CC(C)(C)n1nnnc1Sc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP7 Q93009 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
SCHEMBL8051249 0.85 RAB9A (0.35) MAPTALDH1A1POLBLMNAKDM4E
SCHEMBL8033964 0.83 SMN1; SMN2 (0.39) MAPTALDH1A1POLBLMNA
SCHEMBL8037035 0.82 CYP1A2 (0.34) MAPTALDH1A1POLB
SCHEMBL8033927 0.81 NPSR1 (0.40) MAPTALDH1A1POLBLMNA
SCHEMBL8033786 0.81 MAPT (0.39) MAPTALDH1A1LMNAUSP7
SCHEMBL8043580 0.80 HTT (0.43) MAPTALDH1A1POLBLMNA
SCHEMBL8046748 0.79 RECQL (0.39) MAPTALDH1A1POLBLMNAKDM4E
SCHEMBL8043982 0.78 ALDH1A1 (0.47) MAPTALDH1A1POLBLMNA
SCHEMBL8043236 0.77 UBE2M (0.35) ALDH1A1
SCHEMBL8043090 0.77 MAPT (0.35) MAPTALDH1A1POLBLMNAUSP7

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