SCHEMBL8895875

SCHEMBL8895875

CCOC(=O)Cc1cc(C[C@H](N)C(O)=S)c(F)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 4/20 0.33
KMT2A Q03164 3/20 0.33
DPP4 P27487 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL4274661 0.78 KDM4E (0.43) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL31075813 0.73 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4551498 0.71 GLA (0.44) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8894054 0.71 SLC7A5 (0.39) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL25248214 0.70 MAPT (0.43) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL22469077 0.68 USP2 (0.50) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL22469075 0.68 USP2 (0.50) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL31287306 0.68 USP2 (0.50) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL16110330 0.67 FFAR1 (0.47) KDM4EMAPTALDH1A1L3MBTL1GAA
SCHEMBL24821192 0.66 NLRP3 (0.40) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed