SCHEMBL8044461

SCHEMBL8044461

CCOC(=O)Cc1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 4/20 0.39
HSD17B10 Q99714 3/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8043686 0.89 ALDH1A1 (0.37) SMN1; SMN2POLBHSD17B10ALDH1A1MEN1
SCHEMBL8047155 0.85 MAPT (0.37) SMN1; SMN2POLBHSD17B10ALDH1A1MEN1
SCHEMBL8046194 0.85 MAPT (0.34) ALDH1A1MAPT
SCHEMBL8034362 0.83 F2 (0.39) POLBALDH1A1MAPT
SCHEMBL8047154 0.83 MAPT (0.36) SMN1; SMN2POLBALDH1A1KMT2AMAPT
SCHEMBL8041916 0.82 MAPT (0.35) SMN1; SMN2HSD17B10ALDH1A1MAPTCYP2C9
SCHEMBL8032914 0.82 MAPT (0.35) SMN1; SMN2POLBHSD17B10ALDH1A1MEN1
SCHEMBL8043579 0.81 MAPT (0.35) POLBALDH1A1MAPT
SCHEMBL8043964 0.79 MAPT (0.34) ALDH1A1MAPT
SCHEMBL8043918 0.79 MAPT (0.45) POLBHSD17B10ALDH1A1MEN1KMT2A

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