SCHEMBL24313740

SCHEMBL24313740

CC(C)(C)OC(=O)N1CCC(COc2ccc(C(C)(C)C)cc2SN)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
GPR119 Q8TDV5 13/20 0.45
TGFBR1 P36897 1/20 0.44
CSF1R P07333 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 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
SCHEMBL24333408 0.88 KDM4E (0.46) CHEK2KDM4EPKMGPR119TGFBR1
SCHEMBL24314186 0.86 KDM4E (0.49) CHEK2KDM4EPKMGPR119TGFBR1
SCHEMBL24314185 0.84 KDM4E (0.47) CHEK2KDM4EPKMGPR119TGFBR1
SCHEMBL24313742 0.84 TGFBR1 (0.49) CHEK2KDM4EPKMGPR119TGFBR1
SCHEMBL24314284 0.82 RIPK1 (0.41) KDM4E
SCHEMBL20536605 0.77 MGLL (0.47) CHEK2KDM4EPKMGPR119CSF1R
SCHEMBL3111680 0.76 RBP4 (0.67) KDM4EPKMGPR119CSF1RALOX5AP
SCHEMBL3108299 0.76 RBP4 (0.63) KDM4EPKMGPR119CSF1R
SCHEMBL3505728 0.76 MGLL (0.48) CHEK2KDM4EPKMGPR119CSF1R
SCHEMBL13419698 0.76 GPR119 (0.50) CHEK2KDM4EPKMGPR119CSF1R

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed