SCHEMBL7996896

SCHEMBL7996896

C[S@+]([O-])Cc1cccc2c(C(CCO)c3ccc(Cl)cc3Cl)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
PNP P00491 1/20 0.36
SPR P35270 1/20 0.35

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
SCHEMBL1349816 1.00 KMT2A (0.43) KMT2AMEN1MGAMGAASI
SCHEMBL1348160 0.87 KMT2A (0.41) KMT2AMEN1MGAMGAASI
SCHEMBL1347950 0.86 KMT2A (0.37) KMT2AMEN1MGAMGAASI
SCHEMBL1350988 0.84 KMT2A (0.44) KMT2AMEN1MGAMGAASI
SCHEMBL1350486 0.82 MGAM (0.43) KMT2AMEN1MGAMGAASI
SCHEMBL1348134 0.81 MGAM (0.37) MGAMGAASIMGAM2LMNA
SCHEMBL7979074 0.79 MEN1 (0.32) KMT2AMEN1PNPFFAR1GPR84
SCHEMBL1426885 0.79 MEN1 (0.32) KMT2AMEN1PNPFFAR1GPR84
SCHEMBL1349771 0.78 PNP (0.32) PNP
SCHEMBL1347205 0.78 MEN1 (0.31) KMT2AMEN1

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
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