SCHEMBL9788947

SCHEMBL9788947

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.49
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
HTR6 P50406 7/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.41
PLK1 P53350 1/20 0.40
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
PKM P14618 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL9788974 0.89 KLKB1 (0.47) KLKB1LMNAHTTHTR6DRD2
SCHEMBL9788986 0.87 KLKB1 (0.48) KLKB1LMNAHTTHTR6MEN1
SCHEMBL9788970 0.83 LMNA (0.56) KLKB1LMNAHTTHTR6DRD2
SCHEMBL1156845 0.83 TSHR (0.51) KLKB1LMNAHTTMEN1KMT2A
SCHEMBL9789023 0.77 KLKB1 (0.45) KLKB1LMNAHTTHTR6MEN1
SCHEMBL27622290 0.74 LMNA (0.72) LMNAHTR6DRD2MEN1KMT2A
SCHEMBL1156730 0.74 HTR6 (0.46) KLKB1LMNAHTTHTR6DRD2
SCHEMBL27233758 0.71 LMNA (0.64) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL15561093 0.71 TSHR (0.50) LMNAHTTHTR6MEN1KMT2A
SCHEMBL4962809 0.70 TSHR (0.47) LMNAHTTMEN1KMT2AALDH1A1

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