SCHEMBL8044342

SCHEMBL8044342

COc1ccc(O)c(-c2nnc(Sc3nc(C(F)(F)F)c(C(=O)O)s3)n2-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 3/20 0.43
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL8042393 0.82 ALPG (0.40) ALPGCDC25ACDC25BLMNAHTT
SCHEMBL8047548 0.81 NPSR1 (0.54) LMNAHTTKDM4ECYP3A4ALDH1A1
SCHEMBL8043271 0.80 ALPG (0.45) ALPGCDC25ACDC25BLMNAHTT
SCHEMBL8042199 0.80 ALPG (0.46) ALPGCDC25ACDC25BLMNAHTT
SCHEMBL8033784 0.80 ALPG (0.42) ALPGCDC25ACDC25BLMNAHTT
SCHEMBL8043642 0.80 MAPT (0.52) ALPGCDC25ACDC25BLMNAHTT
SCHEMBL8045447 0.80 POLA1 (0.41) ALPGCDC25ACDC25BLMNAHTT
SCHEMBL8033695 0.79 ALPG (0.44) ALPGCDC25ACDC25BLMNAHTT
SCHEMBL8048718 0.79 RPA1 (0.50) HTTKDM4ECYP3A4ALDH1A1MEN1
SCHEMBL8032437 0.78 ALPG (0.42) ALPGCDC25ACDC25BLMNAHTT

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