SCHEMBL22534331

SCHEMBL22534331

O=C(O)c1c[nH]nc1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 4/20 0.46
KDM5A P29375 1/20 0.46
KDM6B O15054 4/20 0.43
KDM4A O75164 3/20 0.43
KDM4D Q6B0I6 3/20 0.43
KDM3B Q7LBC6 3/20 0.43
HIF1AN Q9NWT6 3/20 0.43
KDM2A Q9Y2K7 3/20 0.43
P2RX3 P56373 1/20 0.43
FFAR1 O14842 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PARP1 P09874 1/20 0.40
BRS3 P32247 1/20 0.40
KEAP1 Q14145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
HCAR3 P49019 1/20 0.39

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
SCHEMBL4019423 0.90 KDM6B (0.45) KDM5BKDM5AKDM6BKDM4AKDM4D
SCHEMBL28742830 0.87 P2RX3 (0.40) KDM5BKDM5AP2RX3NPC1RAB9A
SCHEMBL4017043 0.85 HCAR2 (0.45) KDM5BKDM5AKDM6BKDM4AKDM4D
SCHEMBL20768106 0.82 MMP2 (0.42) P2RX3NPC1RAB9A
SCHEMBL716631 0.82 TSHR (0.50) P2RX3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7506599 0.81 TSHR (0.47) KDM5BKDM6BKDM4AKDM4DHIF1AN
SCHEMBL971141 0.77 HCAR2 (0.42) KDM5BKDM5AKDM6BKDM4AKDM4D
SCHEMBL25352337 0.76 PRKAB2 (0.35) KDM5BKDM5AALDH1A1KDM4C
SCHEMBL22637695 0.76 HCAR2 (0.49) KDM5BKDM5ASMN1; SMN2TDP1KDM4C
SCHEMBL20267445 0.75 GABRP (0.50) KDM5BKDM6BKDM4AKDM4DKDM3B

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-113423709-B Triazinone imidazole compound and medical application thereof 四川科伦博泰生物医药股份有限公司 2024-02-09 CN disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
WO-2020207352-A1 TRIAZINE BENZIMIDAZOLE COMPOUNDS AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-10-15 WO disclosed