SCHEMBL9029174

SCHEMBL9029174

Cc1cccc(S(=O)(=O)C(=O)c2ccc(C(=N)N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PARP1 P09874 1/20 0.44
KMT2A Q03164 1/20 0.43
FBP1 P09467 9/20 0.42
F10 P00742 4/20 0.41
F2 P00734 3/20 0.40
PLAU P00749 2/20 0.40
PLAT P00750 2/20 0.40
PLG P00747 1/20 0.40
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.40

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
SCHEMBL8558495 0.82 ABCC9 (0.46) ALDH1A1MAPTHPGDPARP1KMT2A
SCHEMBL9029471 0.81 HPN (0.50) ALDH1A1MAPTF2PLAUMRGPRX1
SCHEMBL8558127 0.80 F10 (0.47) ALDH1A1MAPTHPGDKMT2AFBP1
SCHEMBL9029924 0.78 F10 (0.46) ALDH1A1KMT2AFBP1F10F2
SCHEMBL9031533 0.77 F2 (0.51) MAPTF10F2PLAUMRGPRX1
SCHEMBL9031248 0.77 F2 (0.48) F10F2PLAUPLGMRGPRX1
SCHEMBL9030021 0.77 F2 (0.47) F10F2
SCHEMBL18399883 0.76 KMT2A (0.50) ALDH1A1MAPTHPGDKMT2AFBP1
SCHEMBL777972 0.73 KAT6A (0.57) ALDH1A1MAPTHPGDPARP1KMT2A
SCHEMBL7071910 0.73 F10 (0.63) ALDH1A1KMT2AF10

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-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed