SCHEMBL28047504

SCHEMBL28047504

O=c1[nH]c(=O)n(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK5 Q16478 1/20 0.42
ESR1 P03372 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
TSHR P16473 2/20 0.40
PMP22 Q01453 2/20 0.40
HBB P68871 2/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 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
SCHEMBL2887321 0.74 KDM4E (0.45) LMNAKMT2AMAPTKDM4ECYP1A2
SCHEMBL13026806 0.74 LMNA (0.41) LMNAKMT2AMAPTKDM4ECYP1A2
SCHEMBL13067325 0.74 LMNA (0.42) LMNAKMT2AMAPTKDM4ECYP1A2
SCHEMBL11327834 0.74 LMNA (0.41) LMNAKMT2AMAPTKDM4ECYP1A2
SCHEMBL22463402 0.74 LMNA (0.41) LMNAKMT2AMAPTKDM4ECYP1A2
SCHEMBL18659115 0.74 LMNA (0.41) LMNAKMT2AMAPTKDM4ECYP1A2
SCHEMBL28656434 0.74 TDP1 (0.38) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL29907308 0.74 KDM4E (0.45) LMNAKMT2AMAPTKDM4ECYP1A2
SCHEMBL27621506 0.74 MAPK1 (0.46) LMNAALDH1A1HPGDPOLB
SCHEMBL27574601 0.73 KDM4E (0.44) LMNAKMT2AMAPTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111213059-B Diagnostic and therapeutic methods for cancer 豪夫迈·罗氏有限公司 2024-01-09 CN disclosed
CN-111836621-A Methods of modulating TIGIT and PD-1 signaling pathways using 1,2, 4-oxadiazole compounds 奥瑞基尼探索技术有限公司 2020-10-27 CN disclosed
CN-105237483-B A kind of symmetric form pyrimidine radicals salt compounded of iodine and preparation method thereof 东华大学 2018-04-20 CN disclosed
CN-105237483-A Symmetric pyrimidyl iodonium salt and preparation method thereof NAT UNIV DONG HWA 2016-01-13 CN disclosed