SCHEMBL8034259

SCHEMBL8034259

Cn1c(Sc2nc(C(F)(F)F)c(C(=O)O)s2)nnc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP7 Q93009 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.31
POLB P06746 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
SCHEMBL8042522 0.85 MAPT (0.36) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL8044772 0.82 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8051249 0.78 RAB9A (0.35) MAPTSMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL8044880 0.77 GCK (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8044639 0.76 HDAC6 (0.49) MAPTSMN1; SMN2MEN1TSHRKMT2A
SCHEMBL8043035 0.76 MAPT (0.33) MAPTUSP7KDM4EALDH1A1POLB
SCHEMBL8043892 0.75 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2AUSP7
SCHEMBL8033927 0.74 NPSR1 (0.40) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL8033964 0.74 SMN1; SMN2 (0.39) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8043559 0.73 MAPT (0.34) MAPTUSP7ALDH1A1POLB

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