SCHEMBL7435763

SCHEMBL7435763

COc1ccc(-c2csc(C(=N)NO)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 5/20 0.55
POLB P06746 3/20 0.55
KDM4E B2RXH2 3/20 0.52
PTGS2 P35354 2/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 3/20 0.51
ATP4A P20648 2/20 0.50
ATP4B P51164 2/20 0.50
VCP P55072 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL7433530 0.84 RAB9A (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL434333 0.82 MEN1 (0.55) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7438464 0.82 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7430766 0.82 LTA4H (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7430029 0.81 ALDH1A1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7438575 0.81 RAB9A (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7441613 0.80 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7434680 0.80 GAA (0.62) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9831049 0.78 RAB9A (0.66) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20462353 0.78 RAB9A (0.59) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed