SCHEMBL9560143

SCHEMBL9560143

CCOc1ccc(-c2nc3ccc(C(=O)c4nc5ccc(N6CCN(CC)CC6)cc5[nH]4)cc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ SLCO2B1 O94956 1/20 0.63
▸ GLA P06280 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ BCL2L1 Q07817 1/20 0.63
▸ SLCO1B3 Q9NPD5 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ SLCO1B1 Q9Y6L6 1/20 0.63
▸ CHEK2 O96017 10/20 0.58
▸ SIRT2 Q8IXJ6 2/20 0.56
▸ SIRT1 Q96EB6 2/20 0.56
▸ BRD4 O60885 1/20 0.54
▸ ACHE P22303 1/20 0.51
▸ TOP1 P11387 2/20 0.51
▸ TOP2A P11388 2/20 0.51

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
SCHEMBL9560144 0.92 KMT2A (0.54) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
SCHEMBL5820715 0.79 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
Hydrochloric Acid SCHEMBL19460660 0.79 TOP1 (0.74) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
SCHEMBL29350649 0.78 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
SCHEMBL38686 0.78 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
SCHEMBL23424053 0.78 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
SCHEMBL6361354 0.77 TOP1 (0.73) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
Hydrochloric Acid SCHEMBL29387917 0.77 ALDH1A1 (0.98) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
SCHEMBL23424052 0.75 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA
SCHEMBL15969230 0.74 ALDH1A1 (0.90) ALDH1A1SMN1; SMN2MEN1SLCO2B1GLA

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
US-5213979-A Coculturing with epithelial cells from oviduct of bovines; increased milk production W. R. GRACE & CO.-CONN. (US) 1993-05-25 — — US disclosed
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