SCHEMBL31376014

SCHEMBL31376014

COc1cc(Cl)c(F)c(I)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 3/20 0.33
EPAS1 Q99814 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL31261063 0.79
SCHEMBL25404157 0.78 PRMT5 (0.37) EPAS1
SCHEMBL31353077 0.77 TRPV4 (0.42) TP53MAPTKMT2AMAPK1ALDH1A1
SCHEMBL24495455 0.74 RAB9A (0.42) LMNANPSR1MAPTKMT2AKDM4E
SCHEMBL27807167 0.70 NPC1 (0.39) LMNANPSR1MAPTKMT2AKDM4E
SCHEMBL4401613 0.70 MAPT (0.37) LMNATP53MAPTKMT2AKDM4E
SCHEMBL29472371 0.70 MAPT (0.49) LMNAMAPTKMT2AKDM4ERAB9A
SCHEMBL4406875 0.70 KDM4E (0.42) LMNAMAPTKMT2AKDM4EMAPK1
SCHEMBL5238964 0.70 KDM4E (0.42) LMNAMAPTKMT2AKDM4ERAB9A
SCHEMBL8762033 0.69 NPSR1 (0.41) LMNANPSR1TP53MAPTKMT2A

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-119219608-A Polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-31 CN disclosed