SCHEMBL30987262

SCHEMBL30987262

FC(F)(F)c1ccnn1-c1ncccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 2/20 0.38
CYP17A1 P05093 1/20 0.37
CYP1A2 P05177 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
HSD11B1 P28845 2/20 0.35
OPRL1 P41146 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL16321386 1.00 KDM4E (0.41) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL30942665 0.83 KDM4E (0.43) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL4886359 0.75 KDM4E (0.40) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL24802479 0.75 GRM5 (0.41) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL15710183 0.75 CYP1A2 (0.50) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL27971656 0.75 POLB (0.47) KDM4EALDH1A1TRPA1CYP17A1CYP1A2
SCHEMBL27955916 0.74 P2RX7 (0.42) KDM4E
SCHEMBL2893944 0.74 TRPA1 (0.41) TRPA1CYP17A1CYP1A2TRPV1HSD11B1
SCHEMBL535580 0.72 TRPA1 (0.42) KDM4EL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL4882320 0.71 OXTR (0.49) KDM4E

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
WO-2024134517-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed
WO-2024134515-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed