SCHEMBL28748034

SCHEMBL28748034

CCn1nc(C(=O)OC)c(=O)c2cc(F)c(-c3nc(C(C)C)cs3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ TYK2 P29597 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.31
▸ PSEN1 P49768 2/20 0.31
▸ PSEN2 P49810 2/20 0.31
▸ APH1B Q8WW43 2/20 0.31
▸ NCSTN Q92542 2/20 0.31
▸ APH1A Q96BI3 2/20 0.31
▸ PSENEN Q9NZ42 2/20 0.31
▸ PLAT P00750 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5780720 0.85 KDM4E (0.37) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL5777179 0.80 ALDH1A1 (0.48) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL5777367 0.74 KDM4E (0.48) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL14845174 0.72 ALDH1A1 (0.49) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL5776756 0.70 KDM4E (0.34) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL27572308 0.70 KDM4E (0.39) KDM4EALDH1A1LMNATYK2HPGD
SCHEMBL5814129 0.67 ADORA2A (0.35) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL27569468 0.64 TYK2 (0.36) KDM4EALDH1A1TYK2PLAT
SCHEMBL11221088 0.63 TSHR (0.59) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL14845123 0.62 LMNA (0.43) KDM4EALDH1A1LMNATSHRBLM

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-1414951-A Drug discharge pump inhibitor FUNDAMENTAL THERAPEUTICAL INC (US) 2003-04-30 — — CN disclosed
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