SCHEMBL8048431

SCHEMBL8048431

O=C(O)c1sc(Sc2nnc(CCc3ccccc3)s2)nc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SRC P12931 2/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 2/20 0.37

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
SCHEMBL8042772 0.90 MAPT (0.41) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL8043964 0.85 MAPT (0.34) MAPTALDH1A1
SCHEMBL8047154 0.84 MAPT (0.36) MAPTPOLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL8044470 0.84 MAPT (0.33) MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL8041916 0.83 MAPT (0.35) RAB9AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL8043579 0.82 MAPT (0.35) MAPTPOLBALDH1A1
SCHEMBL8051497 0.81 HDAC6 (0.46) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8046194 0.81 MAPT (0.34) MAPTALDH1A1
SCHEMBL8047155 0.81 MAPT (0.37) RAB9ANPC1MAPTPOLBLMNA
SCHEMBL8034362 0.79 F2 (0.39) MAPTPOLBALDH1A1

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