SCHEMBL7127512

SCHEMBL7127512

O=C(S)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
GPX4 P36969 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.38
CACNA2D1 P54289 3/20 0.37
CACNA1B Q00975 3/20 0.37
CACNB1 Q02641 3/20 0.37
CACNA1C Q13936 3/20 0.37
CACNA1G O43497 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7123726 0.92 TP53 (0.42) TP53LMNAMAPTGAAGPX4
SCHEMBL6011709 0.91 CYP3A4 (0.43) TP53LMNANPSR1TSHRMAPK1
SCHEMBL6011624 0.89 CACNA1G (0.42) MAPTGPX4HTR1AHTR7CACNA2D1
SCHEMBL6011475 0.89 LMNA (0.44) TP53LMNAMAPTGAANPSR1
SCHEMBL6011378 0.89 SMN1; SMN2 (0.42) TP53LMNAMAPTGAAGPX4
SCHEMBL6011563 0.89 HRH3 (0.42) TP53LMNANPSR1TSHRMAPK1
SCHEMBL6011681 0.87 SMN1; SMN2 (0.43) TP53LMNAMAPTGAAGPX4
SCHEMBL6011760 0.87 KMT2A (0.42) LMNAGPX4HTR1AHTR7CACNA2D1
SCHEMBL6011783 0.86 HTT (0.44) TP53MAPTNPSR1HTTSMN1; SMN2
SCHEMBL6011554 0.86 MAPT (0.43) LMNAMAPTGAANPSR1TSHR

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-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed