SCHEMBL8446994

SCHEMBL8446994

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc(C(=O)CSc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
ALDH1A1 P00352 6/20 0.53
NPC1 O15118 5/20 0.53
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
RGS12 O14924 1/20 0.40
TTR P02766 1/20 0.40
MEN1 O00255 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
SCHEMBL8070681 0.86 MAPT (0.42) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8446098 0.85 RAB9A (0.45) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL8073894 0.82 CTSZ (0.45) RAB9AALDH1A1NPC1HPGDKDM4E
SCHEMBL8446993 0.80 CYP3A4 (0.55) ALDH1A1SMN1; SMN2HSD17B10ALOX15MAPT
SCHEMBL8446364 0.79 CA1 (0.55) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL8059524 0.78 KDM4E (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL7995261 0.78 TTR (0.61) ALDH1A1POLBPKMTTR
SCHEMBL8073502 0.77 TTR (0.51) ALDH1A1MAPTPOLBPKMTTR
SCHEMBL8073710 0.77 SMN1; SMN2 (0.38) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8068490 0.76 TTR (0.44) ALDH1A1SMN1; SMN2MAPTKMT2APOLB

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