SCHEMBL8009389

SCHEMBL8009389

CCOC(=O)Cn1c(=O)n(C(C)C)c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.49
▸ GRIN2B Q13224 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GSR P00390 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL9032760 0.87 GRIN1 (0.52) GRIN1GRIN2BL3MBTL1MEN1KMT2A
SCHEMBL8009664 0.82 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL8007279 0.82 NPC1 (0.39) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL8009560 0.80 GRIN1 (0.40) GRIN1GRIN2BMEN1KMT2AKDM4E
SCHEMBL8008014 0.80 MAPK14 (0.50) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7998180 0.76 L3MBTL1 (0.48) GRIN1GRIN2BL3MBTL1MEN1KMT2A
SCHEMBL8007055 0.76 L3MBTL1 (0.48) GRIN1GRIN2BL3MBTL1MEN1KMT2A
SCHEMBL8009220 0.76 L3MBTL1 (0.51) GRIN1GRIN2BL3MBTL1MEN1KMT2A
SCHEMBL25409364 0.72 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL25409361 0.72 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6165941-A Substituted 2-phenylpyridines BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 — — US disclosed
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 — — EP disclosed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 — — WO disclosed
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