SCHEMBL10430643

SCHEMBL10430643

C[S+]([O-])c1ccc(-c2sc(C(=O)N3CC[N+](C)([O-])CC3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.48
PTGS1 P23219 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 1/20 0.34
MAPK14 Q16539 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL9548068 0.85 PTGS2 (0.48) PTGS2PTGS1HSD17B10MEN1KMT2A
SCHEMBL9548044 0.81 PTGS2 (0.72) PTGS2PTGS1HSD17B10MEN1KMT2A
SCHEMBL10430827 0.79 PTGS2 (0.42) PTGS2PTGS1HSD17B10MEN1KMT2A
SCHEMBL9547975 0.71 PTGS2 (0.66) PTGS2PTGS1HSD17B10MEN1KMT2A
SCHEMBL8797198 0.70 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8297008 0.68 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6501123 0.66 PTGS2 (0.67) PTGS2PTGS1KDM4EMAPK14
SCHEMBL17899432 0.65 HPGD (0.49) PTGS2PTGS1HSD17B10MEN1KMT2A
SCHEMBL15269269 0.65 HPGD (0.49) PTGS2PTGS1HSD17B10MEN1KMT2A
SCHEMBL9548039 0.65 PTGS2 (0.78) PTGS2PTGS1HSD17B10MEN1KMT2A

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
EP-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP disclosed