SCHEMBL16719832

SCHEMBL16719832

C#Cc1ccc(-c2ccc(OC)cc2)c(C(=O)O)c1O.c1cc2cc-2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAP4K4 O95819 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPKAPK2 P49137 2/20 0.38
▸ KDM1A O60341 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 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
SCHEMBL16719384 0.76 TGFBR1 (0.36) KDM4EMAPKAPK2ALDH1A1L3MBTL1TGFBR1
SCHEMBL16719529 0.74 IDO1 (0.39) SMN1; SMN2KDM4CKDM4EALDH1A1L3MBTL1
SCHEMBL28895988 0.74 TGFBR1 (0.45) KDM4EMAPKAPK2ALDH1A1L3MBTL1TGFBR1
SCHEMBL3383379 0.70 XDH (0.55) SMN1; SMN2KDM5AKDM2BKDM4CKDM5B
SCHEMBL28441960 0.67 KDM4C (0.67) SMN1; SMN2KDM5AKDM2BKDM4CKDM5B
SCHEMBL29723246 0.67 KDM4C (0.67) SMN1; SMN2KDM5AKDM2BKDM4CKDM5B
SCHEMBL16719820 0.67 ABL1 (0.43) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL16720648 0.65 IDO1 (0.46) SMN1; SMN2KDM4EALDH1A1TGFBR1POLB
SCHEMBL24573026 0.64 DYRK1A (0.60) SMN1; SMN2MAP4K4KDM5AKDM4CKDM5B
SCHEMBL12335822 0.63 NPC1 (0.59) SMN1; SMN2KDM4EKDM1AHDAC1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105934425-B EBNA1 inhibitors and methods of use thereof 威斯塔解剖学和生物学研究所 2020-08-07 — — CN disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 — — EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 — — WO disclosed
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