SCHEMBL8526248

SCHEMBL8526248

COc1cc2c(=O)[nH]cnc2cc1OCCN(C)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SRC P12931 1/20 0.38
KDR P35968 4/20 0.34
HDAC6 Q9UBN7 2/20 0.33
IP6K1 Q92551 1/20 0.33
EHMT2 Q96KQ7 3/20 0.33
DHFR P00374 1/20 0.33
ENPP1 P22413 1/20 0.33
PIK3CD O00329 1/20 0.33
TNF P01375 2/20 0.32
PDPK1 O15530 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32

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
SCHEMBL8585458 0.82 ENPP1 (0.53) MEN1KMT2AKDRENPP1
SCHEMBL4375637 0.77 SRC (0.44) SRCKDRIP6K1DHFRENPP1
SCHEMBL8525484 0.76 KDM1A (0.46) SRCKDR
SCHEMBL1012303 0.73 SRC (0.52) SRCKDRPDPK1
SCHEMBL1780281 0.73 SRC (0.52) SRCKDRPDPK1
SCHEMBL4374144 0.72 SRC (0.47) SRCKDRIP6K1EHMT2DHFR
SCHEMBL8917 0.72 SRC (0.63) SRCIP6K1PDPK1
SCHEMBL7451899 0.72 SRC (0.41) SRCKDRIP6K1ENPP1
SCHEMBL664912 0.72 SRC (0.51) SRCKDRIP6K1DHFRENPP1
SCHEMBL4376398 0.72 SRC (0.51) SRCKDRIP6K1DHFRENPP1

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-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed