SCHEMBL8446348

SCHEMBL8446348

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1Oc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.43
TSHR P16473 1/20 0.43
F10 P00742 1/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
HTT P42858 1/20 0.39
CA4 P22748 1/20 0.38

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
Hydrochloric Acid SCHEMBL8059467 0.99 CA2 (0.42) CA2TSHRF10CA1CA9
SCHEMBL8068683 0.92 SMN1; SMN2 (0.41) TSHRF10KDM4EMAPTMRGPRX1
Hydrochloric Acid SCHEMBL8059609 0.91 SMN1; SMN2 (0.40) TSHRF10KDM4EMAPTMRGPRX1
SCHEMBL8743801 0.89 PARP10 (0.40) TSHRF10MRGPRX1HTT
SCHEMBL8379266 0.89 HPGD (0.41) CA2TSHRF10CA1CA9
SCHEMBL8743804 0.88 KMT2A (0.41) F10ALDH1A1KMT2AHTT
Hydrochloric Acid SCHEMBL8743791 0.88 PARP10 (0.40) F10MRGPRX1
SCHEMBL8743793 0.88 MRGPRX1 (0.44) CA2F10CA1CA9MRGPRX1
Hydrochloric Acid SCHEMBL8374986 0.88 HPGD (0.40) CA2TSHRF10CA1CA9
SCHEMBL8499411 0.87 GCK (0.42) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP disclosed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed