SCHEMBL19624841

SCHEMBL19624841

O=C(O)c1cc(-c2ccc(C3OCCO3)cc2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 10/20 0.60
▸ CA12 O43570 5/20 0.60
▸ TP53 P04637 1/20 0.59
▸ RPA1 P27694 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CA9 Q16790 3/20 0.55
▸ MARS1 P56192 1/20 0.50
▸ MAPK8 P45983 1/20 0.46

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
SCHEMBL19533624 0.88 ALPL (0.47) ALPLCA12TP53RPA1KDM4E
SCHEMBL19544616 0.81 ALPL (0.65) ALPLCA12TP53CA9
SCHEMBL1414100 0.76 ALPL (1.00) ALPLCA12TP53RPA1KDM4E
SCHEMBL726574 0.75 TP53 (1.00) ALPLCA12TP53RPA1CA9
SCHEMBL23803931 0.74 ALPL (0.73) ALPLCA12TP53RPA1KDM4E
SCHEMBL3447352 0.74 ALPL (1.00) ALPLCA12TP53RPA1KDM4E
SCHEMBL15094586 0.74 ALPL (1.00) ALPLCA12TP53RPA1KDM4E
SCHEMBL645330 0.74 ALPL (1.00) ALPLCA12TP53RPA1KDM4E
SCHEMBL1415732 0.73 ALPL (1.00) ALPLCA12TP53RPA1KDM4E
SCHEMBL222852 0.72 TP53 (0.74) ALPLCA12TP53RPA1KDM4E

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
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
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