SCHEMBL9059960

SCHEMBL9059960

CSc1ccc(-c2ccccc2)c(NC(=N)N2CCC(O)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM3 P20309 8/20 0.35
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL9059638 0.91 MEN1 (0.38) MEN1KMT2AATMALDH1A1PTGS1
SCHEMBL9059545 0.86 MAPT (0.45) MEN1KMT2AALDH1A1PTGS1PTGS2
SCHEMBL9060154 0.82 CHRM3 (0.47) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL9059897 0.81 ALDH1A1 (0.49) MEN1KMT2AATMALDH1A1GAA
SCHEMBL9537814 0.78 CHRM3 (0.50) CHRM3
SCHEMBL9059738 0.77 CHRM3 (0.50) MEN1KMT2AATMALDH1A1CHRM3
SCHEMBL9060028 0.76 MAPT (0.45) KMT2AALDH1A1PTGS1PTGS2MAPT
SCHEMBL9059684 0.75 ALDH1A1 (0.44) ALDH1A1PTGS1PTGS2GAAMAPT
SCHEMBL9059243 0.75 ALDH1A1 (0.46) MEN1KMT2AATMALDH1A1GAA
SCHEMBL9311426 0.75 CHRM3 (0.51) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed