SCHEMBL4016791

SCHEMBL4016791

CN(C)c1cccc2c(S(=O)(=O)N3CCN(c4ncc(C(=O)O)s4)CC3)cccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
HDAC3 O15379 8/20 0.50
HDAC4 P56524 8/20 0.50
HDAC1 Q13547 8/20 0.50
HDAC7 Q8WUI4 8/20 0.50
HDAC2 Q92769 8/20 0.50
HDAC10 Q969S8 8/20 0.50
HDAC11 Q96DB2 8/20 0.50
HDAC8 Q9BY41 8/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC9 Q9UKV0 8/20 0.50
HDAC5 Q9UQL6 8/20 0.50
TGM2 P21980 5/20 0.48
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
SPR P35270 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
SCD O00767 1/20 0.42

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
SCHEMBL4809284 0.92 KMT2A (0.53) KMT2AATMHDAC3HDAC4HDAC1
SCHEMBL4296790 0.90 HDAC3 (0.61) KMT2AATMHDAC3HDAC4HDAC1
SCHEMBL14164254 0.81 HDAC1 (0.64) KMT2AATMHDAC3HDAC4HDAC1
SCHEMBL29437927 0.78 KMT2A (0.88) KMT2AATMTGM2MMP2MMP9
SCHEMBL25531 0.78 KMT2A (0.88) KMT2AATMTGM2MMP2MMP9
SCHEMBL27571758 0.76 KMT2A (0.71) KMT2AATMTGM2MMP2MMP9
SCHEMBL5319421 0.76 HDAC3 (0.80) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL28919033 0.76 HDAC3 (0.58) KMT2AATMHDAC3HDAC4HDAC1
SCHEMBL28919064 0.75 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18711519 0.74 KMT2A (0.71) KMT2AATMTGM2MMP2MMP9

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-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 WO disclosed