SCHEMBL30822604

SCHEMBL30822604

O=C(Cl)c1ccnc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM5A P29375 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM5B Q9UGL1 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NR4A2 P43354 2/20 0.44
ALKBH1 Q13686 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
ACACB O00763 1/20 0.44
MAOB P27338 2/20 0.42
PARP10 Q53GL7 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL27189260 1.00 GLRA1 (0.51) GLRA1MEN1KMT2AKDM5AKDM4C
SCHEMBL837794 0.88 NR4A2 (0.58) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL5550995 0.82 HPGD (0.59) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL13876023 0.81 MAOB (0.46) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL24646021 0.79 ACACB (0.44) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL30211099 0.79 ACACB (0.44) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL7437293 0.78 PROKR1 (0.48) KMT2AACACBJMJD6
SCHEMBL12420854 0.77 NR4A2 (0.65) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL12076214 0.76 MEN1 (0.67) MEN1KMT2AKDM5AKDM4CALDH1A1
SCHEMBL784744 0.76 NPC1 (0.49) ALDH1A1

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
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 CN disclosed