SCHEMBL6137327

SCHEMBL6137327

N=C(N)N(CS(=O)(=O)O)C(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
SLC9A1 P19634 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6137337 0.85 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6137207 0.84 SLC9A1 (0.62) MAPTCYP2C19CYP3A4SLC9A1CA12
SCHEMBL6137505 0.84 SLC9A1 (0.42) MAPTHTTHPGDCYP2C19CYP3A4
SCHEMBL27522789 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7612077 0.79 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7988906 0.78 SLC9A1 (0.51) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7971257 0.75 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7061443 0.68 SLC9A1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3712713 0.67 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8767676 0.67 CES2 (0.47) ALDH1A1MEN1KMT2APOLBGAA

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-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
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