SCHEMBL8044772

SCHEMBL8044772

CC(C)(C)c1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP7 Q93009 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
NOTUM Q6P988 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8034259 0.82 MAPT (0.35) MAPTMEN1KMT2AUSP7ALDH1A1
SCHEMBL8047063 0.80 TSHR (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8042116 0.80 SMN1; SMN2 (0.41) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8048173 0.80 MAPT (0.36) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8044969 0.79 ALDH1A1 (0.45) MAPTALDH1A1POLBGAASMN1; SMN2
SCHEMBL8048718 0.79 RPA1 (0.50) MAPTMEN1KMT2AUSP7ALDH1A1
SCHEMBL8046642 0.78 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1SLC22A12
SCHEMBL8050842 0.78 HSD17B10 (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8044342 0.78 ALPG (0.43) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8043982 0.78 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1POLB

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