SCHEMBL28651256

SCHEMBL28651256

O=NOC(=O)c1ccnc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KDM6B O15054 2/20 0.48
KDM5C P41229 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
KDM2A Q9Y2K7 2/20 0.48
KDM3A Q9Y4C1 2/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4A O75164 1/20 0.46
KMT2A Q03164 4/20 0.46
JMJD6 Q6NYC1 2/20 0.44
ASIC3 Q9UHC3 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KDM5B Q9UGL1 1/20 0.42
KMO O15229 1/20 0.42
ACACB O00763 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
SCHEMBL29134643 0.85 KDM1A (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29134657 0.85 KMT2A (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29134646 0.83 KDM1A (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29163821 0.82 KMO (0.51) KDM4EKDM4CALDH1A1POLBNPC1
SCHEMBL581398 0.81 KDM4E (0.71) KAT6AKDM4EKDM6BKDM5CKDM4C
SCHEMBL29163838 0.80 SMYD2 (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
Nitrous Acid SCHEMBL28651257 0.80 KDM4C (0.63) KAT6AKDM4EKDM6BKDM5CKDM4C
SCHEMBL946431 0.79 ASIC3 (0.55) KAT6AKDM4EKDM6BKDM5CKDM4C
SCHEMBL3718393 0.79 KDM4E (0.68) KAT6AKDM4EKDM6BKDM5CKDM4C
SCHEMBL30772302 0.79 KDM4E (0.68) KAT6AKDM4EKDM6BKDM5CKDM4C

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-113712964-B Application of 9,10 dihydrophenanthrene compound in preparation of coronavirus 3CL protease inhibitor 上海中医药大学 2023-04-07 CN disclosed
CN-113712964-A Application of 9, 10-dihydrophenanthrene compound in preparation of coronavirus 3CL protease inhibitor 上海中医药大学 2021-11-30 CN disclosed
CN-113582915-A Synthesis method of 4-substituted pyridine compound 河南师范大学 2021-11-02 CN disclosed