SCHEMBL9788974

SCHEMBL9788974

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HTR6 P50406 9/20 0.43
MEN1 O00255 3/20 0.41
PLK1 P53350 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 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
SCHEMBL9788947 0.89 KLKB1 (0.49) KLKB1LMNAKMT2ASMN1; SMN2HTR6
SCHEMBL9788986 0.84 KLKB1 (0.48) KLKB1LMNAKMT2ASMN1; SMN2HTR6
SCHEMBL9788970 0.81 LMNA (0.56) KLKB1LMNAKMT2ASMN1; SMN2HTR6
SCHEMBL1156845 0.81 TSHR (0.51) KLKB1LMNAKMT2AMAPK1HSD17B10
SCHEMBL9789023 0.75 KLKB1 (0.45) KLKB1LMNAKMT2ASMN1; SMN2HTR6
SCHEMBL15561093 0.72 TSHR (0.50) LMNAKMT2AGAAMAPK1HSD17B10
SCHEMBL1156730 0.72 HTR6 (0.46) KLKB1LMNAKMT2ASMN1; SMN2HTR6
SCHEMBL27233758 0.69 LMNA (0.64) LMNAKMT2AGAAMEN1ALDH1A1
SCHEMBL4962809 0.69 TSHR (0.47) LMNAKMT2AMAPK1HSD17B10SMN1; SMN2
SCHEMBL1156250 0.68 KDM4E (0.50) LMNAKMT2AHTR6MEN1HPGD

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-5026715-A 2-guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1991-06-25 US disclosed