SCHEMBL8446986

SCHEMBL8446986

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1Oc1ccc(C(=O)CSc2ncc[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSZ Q9UBR2 1/20 0.40
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA13 Q8N1Q1 3/20 0.33
CA9 Q16790 2/20 0.33
GAA P10253 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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 SCHEMBL8521359 0.99 CTSZ (0.40) CTSZTSHRKDM4EHDAC1MAPT
SCHEMBL8073894 0.86 CTSZ (0.45) CTSZTSHRKDM4EMAPTPOLB
SCHEMBL8446988 0.85 CTSZ (0.41) CTSZ
Hydrochloric Acid SCHEMBL8059598 0.84 CTSZ (0.41) CTSZ
SCHEMBL8446359 0.84 CA1 (0.51) HDAC1MAPTPOLBATMALDH1A1
Hydrochloric Acid SCHEMBL8446098 0.83 RAB9A (0.45) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8444771 0.83 CA1 (0.51) HDAC1MAPTPOLBATMALDH1A1
Hydrochloric Acid SCHEMBL8444221 0.82 CYP3A4 (0.44) MAPTALDH1A1SMN1; SMN2THRATHRB
SCHEMBL8446987 0.81 GAA (0.39) KDM4EMAPTALDH1A1SMN1; SMN2THRA
Hydrochloric Acid SCHEMBL8059595 0.81 GAA (0.38) KDM4EMAPTALDH1A1SMN1; SMN2THRA

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 claimed
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