SCHEMBL9788970

SCHEMBL9788970

CC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KLKB1 P03952 1/20 0.49
PKM P14618 1/20 0.49
HTR6 P50406 10/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
PLK1 P53350 1/20 0.43
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
BRD4 O60885 1/20 0.42
CYP3A4 P08684 1/20 0.42
DRD2 P14416 1/20 0.41

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
SCHEMBL9788947 0.83 KLKB1 (0.49) LMNASMN1; SMN2KLKB1PKMHTR6
SCHEMBL9788986 0.82 KLKB1 (0.48) LMNASMN1; SMN2KLKB1PKMHTR6
SCHEMBL1156845 0.81 TSHR (0.51) LMNASMN1; SMN2KLKB1PKMMEN1
SCHEMBL9789023 0.81 KLKB1 (0.45) LMNASMN1; SMN2KLKB1PKMHTR6
SCHEMBL9788974 0.81 KLKB1 (0.47) LMNASMN1; SMN2KLKB1PKMHTR6
SCHEMBL23971273 0.75 HTR6 (0.54) LMNASMN1; SMN2HTR6MEN1KMT2A
SCHEMBL1156730 0.74 HTR6 (0.46) LMNASMN1; SMN2KLKB1HTR6MEN1
SCHEMBL1365701 0.73 PKM (0.51) LMNASMN1; SMN2PKMHTR6MEN1
SCHEMBL1156250 0.73 KDM4E (0.50) LMNAHTR6MEN1KMT2AALDH1A1
SCHEMBL30393652 0.72 LMNA (1.00) LMNASMN1; SMN2HTR6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259085-B1 2-GUANIDINO-4-ARYLTHIAZOLES FOR TREATMENT OF PEPTIC ULCERS PFIZER INC. (US) 1991-08-21 EP disclosed
US-5026715-A 2-guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1991-06-25 US disclosed
EP-0259085-A1 2-Guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1988-03-09 EP disclosed