SCHEMBL8041916

SCHEMBL8041916

CCCCc1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 6/20 0.34
TSHR P16473 1/20 0.33
HRH2 P25021 3/20 0.33
HRH1 P35367 3/20 0.33
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL8047154 0.94 MAPT (0.36) MAPTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL8047155 0.89 MAPT (0.37) MAPTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL8043964 0.88 MAPT (0.34) MAPTALDH1A1
SCHEMBL8044470 0.87 MAPT (0.33) MAPTALDH1A1SMN1; SMN2
SCHEMBL8043579 0.85 MAPT (0.35) MAPTALDH1A1AGTR1AGTR2
SCHEMBL8043686 0.85 ALDH1A1 (0.37) MAPTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL8046194 0.84 MAPT (0.34) MAPTALDH1A1
SCHEMBL8032914 0.83 MAPT (0.35) MAPTALDH1A1TSHRSMN1; SMN2CYP2C9
SCHEMBL8048431 0.83 RAB9A (0.41) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL8034362 0.82 F2 (0.39) MAPTALDH1A1

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