SCHEMBL9743229

SCHEMBL9743229

N#Cc1c(O)cc(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
BACE1 P56817 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NQO1 P15559 1/20 0.38
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21710504 0.83 TTR (0.41) MAPKAPK2BACE1MEN1KMT2AKDM4E
SCHEMBL14139780 0.83 UPP1 (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL3022947 0.74 ESR2 (0.42) MAPKAPK2BACE1MEN1KMT2AKDM4E
SCHEMBL81244 0.72 TRPV4 (0.58) BACE1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1128572 0.72 UPP1 (0.50) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1900659 0.72 CYP3A4 (0.50) BACE1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1898898 0.72 MEN1 (0.46) MAPKAPK2BACE1MEN1KMT2AKDM4E
SCHEMBL1900726 0.72 TTR (0.46) MAPKAPK2BACE1MEN1KMT2AKDM4E
SCHEMBL9576761 0.72 MEN1 (0.41) MAPKAPK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL83963 0.71 NQO1 (0.50) ESR1ESR2NQO1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293493-B Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity 清华大学 2021-08-03 CN disclosed
CN-109293493-A With the inhibition active novel benzhydryl class compound of mycobacterium tuberculosis 清华大学 2019-02-01 CN disclosed
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed