SCHEMBL29379460

SCHEMBL29379460

CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 4/20 0.64
▸ KDM4B O94953 4/20 0.64
▸ KDM5B Q9UGL1 4/20 0.64
▸ KDM5C P41229 2/20 0.64
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ ADORA3 P0DMS8 6/20 0.59
▸ GRM1 Q13255 1/20 0.59
▸ MAPK1 P28482 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ NPC1 O15118 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56

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
SCHEMBL663231 1.00 KDM4A (0.64) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL29978012 0.91 GRM1 (0.73) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL662995 0.91 GRM1 (0.73) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL663246 0.91 MEN1 (0.71) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL19763217 0.90 ADORA3 (0.74) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL664672 0.89 ADORA3 (0.73) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL29977937 0.89 ADORA3 (0.73) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL29978560 0.88 ADORA3 (0.75) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL664225 0.88 ADORA3 (0.75) KDM4AKDM4BKDM5BKDM5CMEN1
SCHEMBL18230323 0.86 ADORA3 (0.79) KDM4AKDM4BKDM5BKDM5CMEN1

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-2022031952-A9 TREATMENTS FOR CANCERS HAVING KRAS MUTATIONS CITY OF HOPE (US) 2022-04-07 — — WO disclosed
WO-2022031952-A2 TREATMENTS FOR CANCERS HAVING KRAS MUTATIONS CITY OF HOPE (US) 2022-02-10 — — WO disclosed
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