SCHEMBL28021932

SCHEMBL28021932

COc1ccc(C(=O)OF)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.64
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
OXTR P30559 1/20 0.43
PTPN1 P18031 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GPR183 P32249 3/20 0.41

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
SCHEMBL65277 0.85 NNMT (0.68) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL28249567 0.82 NNMT (0.64) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL28045755 0.82 NNMT (0.64) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL18228074 0.81 NNMT (0.72) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL29757598 0.79 NNMT (0.70) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL29514668 0.79 NNMT (0.70) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL105066 0.79 NNMT (0.70) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL185291 0.79 NNMT (0.70) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL10972399 0.79 NNMT (0.60) NNMTMKNK1MKNK2MAPK1KDM4E
SCHEMBL2493127 0.78 NNMT (0.68) NNMTMKNK1MKNK2MAPK1KDM4E

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
CN-106458956-B The heterocycle sulfone that heteroaryl replaces 格吕伦塔尔有限公司 2019-06-14 CN disclosed
CN-104884435-A Pyridone compound KYOWA HAKKO KIRIN CO LTD 2015-09-02 CN disclosed