SCHEMBL6137337

SCHEMBL6137337

N=C(N)N(CS(=O)(=O)O)C(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 2/20 0.43
SLC9A1 P19634 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 3/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
NPY2R P49146 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6137505 0.87 SLC9A1 (0.42) CYP3A4SLC9A1CYP2C19NPY2RLMNA
SCHEMBL6137207 0.86 SLC9A1 (0.62) CYP3A4SLC9A1CYP2C19HSD11B1CA12
SCHEMBL6137327 0.85 ALDH1A1 (0.47) MEN1KMT2ACYP3A4SLC9A1CYP2C19
SCHEMBL7985439 0.79 NPY2R (0.46) MEN1KMT2ACYP3A4SLC9A1CYP2C19
SCHEMBL6137414 0.77 SLC9A1 (0.48) MEN1KMT2ACYP3A4SLC9A1CYP2C19
SCHEMBL6137546 0.76 SLC9A1 (0.53) MEN1KMT2ACYP3A4SLC9A1CYP2C19
SCHEMBL6137426 0.75 SLC9A1 (0.71) CYP3A4SLC9A1CYP2C19CYP2C9
SCHEMBL7985451 0.72 ALDH1A1 (0.54) MEN1KMT2ACYP3A4SLC9A1CYP2C19
SCHEMBL7061443 0.71 SLC9A1 (0.57) MEN1KMT2ASLC9A1MAPTNPSR1
SCHEMBL6137218 0.71 SLC6A7 (0.40) MEN1KMT2ACYP3A4SLC9A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165534-B1 BENZOYLGUANIDINE DERIVATIVES WITH ADVANTAGEOUS PROPERTIES, METHOD FOR PRODUCING THEM AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-02-02 EP claimed
US-6323207-B1 TREATMENT OR REDUCTION OF TISSUE DAMAGE DUE TO ISCHAEMIA WHICH COMPRISES ADMINISTERING TO A HOST SUFFERING FROM ISCHAEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-27 US claimed
EP-1165534-B1 BENZOYLGUANIDINE DERIVATIVES WITH ADVANTAGEOUS PROPERTIES, METHOD FOR PRODUCING THEM AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-02-02 EP disclosed
EP-1165534-A2 BENZOYLGUANIDINE DERIVATIVES WITH ADVANTAGEOUS PROPERTIES, METHOD FOR PRODUCING THEM AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-01-02 EP disclosed
US-6323207-B1 TREATMENT OR REDUCTION OF TISSUE DAMAGE DUE TO ISCHAEMIA WHICH COMPRISES ADMINISTERING TO A HOST SUFFERING FROM ISCHAEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-27 US disclosed
WO-2000017176-A2 BENZOYLGUANIDINE DERIVATIVES WITH ADVANTAGEOUS PROPERTIES, METHOD FOR PRODUCING THEM AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-30 WO disclosed