SCHEMBL25246749

SCHEMBL25246749

COC(=O)c1c(OCc2ccccc2)cccc1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SGMS2 Q8NHU3 2/20 0.55
BRD4 O60885 1/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.51
PTGER1 P34995 1/20 0.50
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
CA9 Q16790 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL1097551 0.92 SGMS2 (0.54) MEN1KMT2ASGMS2BRD4MAPT
SCHEMBL9724299 0.84 HPGD (0.56) SGMS2BRD4MAPTL3MBTL1CYP2C9
SCHEMBL5120937 0.83 CA12 (0.59) SGMS2BRD4MAPTL3MBTL1TDP1
SCHEMBL978857 0.82 HTT (0.64) MEN1KMT2ASGMS2BRD4MAPT
SCHEMBL4947232 0.82 MAOB (0.61) BRD4MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL71081 0.82 SGMS2 (0.67) MEN1KMT2ASGMS2BRD4MAPT
SCHEMBL30468871 0.82 SGMS2 (0.67) MEN1KMT2ASGMS2BRD4MAPT
SCHEMBL13044291 0.81 SGMS2 (0.55) MEN1KMT2ASGMS2MAPTL3MBTL1
SCHEMBL2255018 0.81 MAPT (0.51) KMT2AMAPTL3MBTL1SMN1; SMN2GAA
SCHEMBL29790826 0.81 MAPT (0.51) KMT2AMAPTL3MBTL1SMN1; SMN2GAA

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
EP-4455139-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2024-10-30 EP disclosed
WO-2023116527-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2023-06-29 WO disclosed
WO-2023116527-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2023-06-29 WO disclosed