SCHEMBL25367406

SCHEMBL25367406

COC(=O)c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SDHB P21912 1/20 0.42
NOTUM Q6P988 3/20 0.42
PDK2 Q15119 2/20 0.40
ALPL P05186 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL31138661 1.00 KDM4E (0.45) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL29036325 0.89 XDH (0.47) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL31656077 0.89 XDH (0.47) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL31254967 0.87 ALDH1A1 (0.44) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL29194231 0.87 NOTUM (0.53) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL31409842 0.87 NOTUM (0.53) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL29229221 0.87 KDM4E (0.47) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL29131103 0.84 NOTUM (0.43) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL29225262 0.83 NPC1 (0.49) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL29036274 0.83 VCAM1 (0.46) KDM4ELMNAHTTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233665-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
CN-118525022-A Azacyclo derivative and application thereof in medicine 西藏海思科制药有限公司 2024-08-20 CN disclosed
CN-117263944-A Ubiquitin-specific protease 1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-12-22 CN disclosed
WO-2023143424-A1 AZACYCLIC DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2023-08-03 WO disclosed
CN-116514845-A USP1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-08-01 CN disclosed