SCHEMBL5047441

SCHEMBL5047441

O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(CNCc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.44
BACE1 P56817 3/20 0.43
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTR6 P50406 2/20 0.38
CYP19A1 P11511 1/20 0.38
NR3C2 P08235 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL4714345 0.85 LMNA (0.43) BCHEBACE1LMNAPOLBMAPT
SCHEMBL1852522 0.84 TRPM8 (0.43) BCHELMNARAB9AMEN1KMT2A
SCHEMBL5040032 0.84 ERBB2 (0.42) LMNARAB9ATRPV1POLBMAPT
SCHEMBL4717989 0.82 MEN1 (0.47) LMNARAB9ATRPV1POLBMAPT
SCHEMBL4714650 0.82 MEN1 (0.47) LMNARAB9ATRPV1POLBMAPT
SCHEMBL5047436 0.82 MAPT (0.36) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL4712382 0.79 CCR1 (0.41) BCHELMNATRPV1POLBMAPT
SCHEMBL4711910 0.78 MAPT (0.40) BCHELMNARAB9ATRPV1POLB
SCHEMBL5039556 0.77 CAPN1 (0.38) LMNAPOLBMEN1KMT2AELANE
SCHEMBL5047519 0.72 CASR (0.39) LMNAPOLBMAPTMEN1KMT2A

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed