SCHEMBL9340415

SCHEMBL9340415

COc1c(C(=O)O)cc(Cl)c(NC(C)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TPMT P51580 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SORT1 Q99523 3/20 0.37
▸ ACLY P53396 1/20 0.37
▸ APEX1 P27695 1/20 0.36

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
SCHEMBL10371881 0.87 ALDH1A1 (0.43) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL7363800 0.84 ALDH1A1 (0.44) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL7319755 0.84 ALDH1A1 (0.41) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL14237178 0.83 ALDH1A1 (0.39) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL3583694 0.80 PKM (0.49) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL1975251 0.78 LMNA (0.45) ALDH1A1MEN1LMNAHPGDKMT2A
SCHEMBL7393410 0.78 ALDH1A1 (0.37) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL27887946 0.76 TPMT (0.47) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL6772316 0.75 HSD17B10 (0.44) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL19888383 0.75 SMN1; SMN2 (0.44) ALDH1A1MEN1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 — — EP disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 — — WO disclosed
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