SCHEMBL28524375

SCHEMBL28524375

CNc1ccc(Oc2ccc(F)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HSPB1 P04792 1/20 0.53
MMP13 P45452 4/20 0.47
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 4/20 0.43
P2RX3 P56373 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL29351775 0.95 MEN1 (0.55) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL22529955 0.95 MEN1 (0.55) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL15044215 0.92 KDM4E (0.54) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL28418217 0.84 LMNA (0.56) KDM4EL3MBTL1SMN1; SMN2POLBRAB9A
SCHEMBL29350393 0.82 PKM (0.45) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL22529935 0.82 PKM (0.45) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL30689304 0.81 P2RX3 (0.47) MEN1KMT2AKDM4EHTTP2RX3
SCHEMBL3022633 0.79 FFAR1 (0.46) HSPB1KCNH2SCN5ASCN9A
SCHEMBL778928 0.79 MEN1 (0.64) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL4504068 0.78 MEN1 (0.54) MEN1KMT2AKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN disclosed