SCHEMBL5047519

SCHEMBL5047519

O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(C[N]Cc2cccc(Cl)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
LMNA P02545 5/20 0.38
AKR1C3 P42330 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ALOX12 P18054 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 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 0.87 LMNA (0.43) CASRLMNAAKR1C3MEN1KMT2A
SCHEMBL1857604 0.82 CASR (0.40) CASRLMNAAKR1C3MEN1KMT2A
SCHEMBL4714343 0.80 CASR (0.40) CASRLMNAAKR1C3MEN1KMT2A
SCHEMBL25737609 0.78 CNR1 (0.37) CASRLMNAAKR1C3MEN1KMT2A
SCHEMBL4718006 0.76 KMT2A (0.39) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL4714622 0.73 TSHR (0.56) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL5047441 0.72 BCHE (0.44) LMNAMEN1KMT2AMAPTPOLB
SCHEMBL5047436 0.69 MAPT (0.36) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL4714646 0.69 TSHR (0.47) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL4020745 0.68 SMN1; SMN2 (0.48) LMNAAKR1C3KMT2AALDH1A1MAPT

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