SCHEMBL8042772

SCHEMBL8042772

O=C(O)c1sc(Sc2nnc(Cc3ccccc3)s2)nc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ABL1 P00519 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LIMK1 P53667 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 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
SCHEMBL8048431 0.90 RAB9A (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8043579 0.83 MAPT (0.35) MAPTPOLBALDH1A1
SCHEMBL8051497 0.82 HDAC6 (0.46) MAPTNPC1RAB9AALDH1A1CYP2C9
SCHEMBL8047155 0.82 MAPT (0.37) MAPTTSHRKMT2AMEN1NPC1
SCHEMBL8046194 0.82 MAPT (0.34) MAPTALDH1A1
SCHEMBL8043964 0.81 MAPT (0.34) MAPTALDH1A1
SCHEMBL8034362 0.80 F2 (0.39) MAPTPOLBALDH1A1
SCHEMBL8044470 0.80 MAPT (0.33) MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL8047154 0.80 MAPT (0.36) MAPTTSHRKMT2APOLBALDH1A1
SCHEMBL8041916 0.79 MAPT (0.35) MAPTTSHRRAB9AALDH1A1CYP2C9

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