SCHEMBL8444776

SCHEMBL8444776

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1Oc1ccc(S(=O)(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.46
CCR2 P41597 6/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
PARP1 P09874 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL8068487 0.99 SIGMAR1 (0.45) SIGMAR1CCR2KMT2AMEN1PARP1
Hydrochloric Acid SCHEMBL8077073 0.91 KMT2A (0.51) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8068934 0.87 SIGMAR1 (0.51) SIGMAR1CCR2KMT2AMEN1PARP1
SCHEMBL8444778 0.86 SLC9A1 (0.50) SIGMAR1CCR2KMT2AMEN1
Hydrochloric Acid SCHEMBL8068489 0.85 SLC9A1 (0.49) SIGMAR1CCR2KMT2AMEN1
SCHEMBL8444243 0.82 ALDH1A1 (0.53) SIGMAR1KMT2AUSP2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8070683 0.81 ALDH1A1 (0.52) SIGMAR1KMT2AUSP2ALDH1A1SMN1; SMN2
SCHEMBL8446065 0.80 CYP19A1 (0.50) KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8446233 0.80 MAPT (0.36) ALDH1A1SMN1; SMN2
SCHEMBL8068683 0.80 SMN1; SMN2 (0.41) SMN1; SMN2

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-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 claimed