SCHEMBL8379266

SCHEMBL8379266

CC(=O)c1ccc(Oc2ccc(C(=O)NC(=N)N)cc2S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
STS P08842 1/20 0.39
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MRGPRX1 Q96LB2 3/20 0.36
PLAU P00749 1/20 0.36
ESRRA P11474 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
F10 P00742 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35

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 SCHEMBL8374986 0.99 HPGD (0.40) HPGDMAPTRAB9ASTSICAM1
SCHEMBL8068683 0.94 SMN1; SMN2 (0.41) HPGDMAPTSMN1; SMN2KDM4EMRGPRX1
Hydrochloric Acid SCHEMBL8059609 0.93 SMN1; SMN2 (0.40) HPGDMAPTSMN1; SMN2KDM4EMRGPRX1
SCHEMBL8743801 0.91 PARP10 (0.40) HPGDSMN1; SMN2MRGPRX1PLAUF10
Hydrochloric Acid SCHEMBL8743791 0.90 PARP10 (0.40) MRGPRX1PLAUF10
SCHEMBL8743793 0.90 MRGPRX1 (0.44) HPGDSMN1; SMN2MRGPRX1CA12CA1
SCHEMBL8743804 0.90 KMT2A (0.41) SMN1; SMN2F10ALDH1A1KMT2AHTT
SCHEMBL8499411 0.89 GCK (0.42) PLAUF10GCK
SCHEMBL8446348 0.89 CA2 (0.43) MAPTKDM4EMRGPRX1CA1CA2
Hydrochloric Acid SCHEMBL8743787 0.89 KMT2A (0.41) HPGDMAPTSMN1; SMN2KDM4EF10

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
US-5880156-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
EP-0627413-B1 Substituted benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AG (DE) 1997-09-24 EP disclosed
EP-0627413-A1 Substituted benzoylguanidines, process for their preparation, their use as medicaments as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-07 EP disclosed