SCHEMBL28525837

SCHEMBL28525837

C[C@H]1Oc2c(F)cc(C3CCN(C(=O)OC(C)(C)C)C3)cc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
PDE4B Q07343 1/20 0.43
HRH3 Q9Y5N1 4/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
DPP4 P27487 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
HPGDS O60760 1/20 0.36
IDH1 O75874 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL20138024 0.86 PARP1 (0.38)
SCHEMBL28525830 0.84 KDM4E (0.43) MAPTKDM4ETHRBPDE4BHRH3
SCHEMBL24583551 0.76 CDK7 (0.47) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL28297779 0.74 PDE4B (0.56) MAPTKDM4ETHRBPDE4BDPP4
SCHEMBL28298497 0.74 PDE4B (0.56) MAPTKDM4ETHRBPDE4BDPP4
SCHEMBL22619116 0.73 PDE4B (0.53) MAPTKDM4ETHRBPDE4BHRH3
SCHEMBL26985427 0.71 PDE4B (0.58) MAPTKDM4ETHRBPDE4BHRH3
SCHEMBL28533641 0.71 CREBBP (0.35)
SCHEMBL20439010 0.71 KDM4E (0.55) MAPTKDM4ETHRBPDE4BHRH3
SCHEMBL28593500 0.70 PDE4B (0.54) MAPTKDM4ETHRBPDE4BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed