SCHEMBL1427680

SCHEMBL1427680

CNS(=O)(=O)Cc1cccc2c(C(CCC#N)c3ccc(Cl)cc3Cl)c[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL1348447 0.90 KMT2A (0.41) KMT2AMEN1MGAMGAASI
SCHEMBL1349131 0.82 KMT2A (0.42) KMT2AMEN1MGAMGAASI
SCHEMBL1350623 0.82 PNP (0.33) KMT2AMEN1MGAMGAASI
SCHEMBL1349318 0.82 MEN1 (0.32) KMT2AMEN1MGAMGAASI
SCHEMBL1350620 0.81 PNP (0.33) KMT2AMEN1MGAMGAASI
SCHEMBL1348160 0.81 KMT2A (0.41) KMT2AMEN1MGAMGAASI
SCHEMBL1349863 0.79 MRGPRX4 (0.33) KMT2AMEN1NR3C1NR3C2
SCHEMBL1350486 0.78 MGAM (0.43) KMT2AMEN1MGAMGAASI
SCHEMBL1349805 0.78 MGAM (0.36) MGAMGAASIMGAM2LMNA
SCHEMBL1350828 0.78 MGAM (0.36) MGAMGAASIMGAM2LMNA

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-2300423-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-30 EP disclosed
WO-2009156072-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 WO disclosed