SCHEMBL27572308

SCHEMBL27572308

CCC(=O)Oc1cn(C2CC2)c2cc(-c3nc(C(C)C)cs3)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TOP2A P11388 4/20 0.35
▸ TOP2B Q02880 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TYK2 P29597 1/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 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
SCHEMBL27569468 0.79 TYK2 (0.36) KDM4EALDH1A1TYK2
SCHEMBL27298339 0.77 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6429499 0.73 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9116286 0.72 TOP2A (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5779740 0.72 ADRB2 (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28709209 0.72 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6217185 0.70 KDM4E (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10591014 0.70 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7824025 0.69 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL27879215 0.69 PTGDR2 (0.41) KDM4EALDH1A1LMNAHPGDHSD17B10

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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