SCHEMBL365499

SCHEMBL365499

N#CCOc1ccc2c(C(=O)NS(=O)(=O)Cc3ccccc3)c3ccccc3n2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.38
PTGER4 P35408 2/20 0.36
MCL1 Q07820 2/20 0.35
ADAM17 P78536 2/20 0.35
PTPN7 P35236 1/20 0.35
AR P10275 1/20 0.34
GUSB P08236 1/20 0.34
PTPN1 P18031 1/20 0.34
MET P08581 1/20 0.34
IMPDH2 P12268 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL367074 0.93 LMNA (0.39) PTGER4MCL1ADAM17ALDH1A1MEN1
SCHEMBL365603 0.90 TSHR (0.38) ADAM17ALDH1A1KDM4ELMNAMAPT
SCHEMBL366344 0.89 PSEN1 (0.39) MCL1ADAM17ALDH1A1KDM4EMEN1
SCHEMBL364894 0.86 PSEN1 (0.39) PTGER4ADAM17ALDH1A1KDM4EMEN1
SCHEMBL366151 0.86 EGFR (0.45) MCL1PTPN7KDM4EMEN1LMNA
SCHEMBL364828 0.86 MCL1 (0.37) MCL1ADAM17
SCHEMBL365498 0.86 KMT2A (0.45) P4HTMPTGER4MCL1PTPN1MET
SCHEMBL367542 0.85 PSEN1 (0.42) MCL1ADAM17ARPTPN1ALDH1A1
SCHEMBL364900 0.82 PSEN1 (0.39) ALDH1A1KDM4EPOLBMAPT
SCHEMBL366032 0.81 PSEN1 (0.38) ALDH1A1KDM4EMEN1LMNAPOLB

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed