SCHEMBL20190349

SCHEMBL20190349

O=S(=O)(CCOCCO)NCCc1cccc(OCC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 14/20 0.49
▸ MTNR1A P48039 1/20 0.42
▸ KDM5A P29375 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL20188079 0.88 DUT (0.47) DUTMTNR1AKDM5AKDM4CNPC1
SCHEMBL13606412 0.78 DUT (0.62) DUTKDM5AKDM4C
SCHEMBL22723314 0.77 DUT (0.61) DUT
SCHEMBL22723312 0.77 DUT (0.61) DUT
SCHEMBL12630550 0.76 DUT (0.65) DUTKDM5AKDM4C
SCHEMBL20191169 0.76 DUT (0.59) DUT
SCHEMBL20189787 0.75 DUT (0.61) DUTMTNR1A
SCHEMBL20187896 0.75 DUT (0.50) DUTMTNR1AKDM5AKDM4C
SCHEMBL20188108 0.74 DUT (0.45) DUTMTNR1A
SCHEMBL12711103 0.73 DUT (0.47) DUTKDM5AKDM4C

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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