SCHEMBL10558578

SCHEMBL10558578

CC(c1ccccc1)C1C(=O)Nc2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ TYR P14679 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL10562450 0.82 MAOB (0.50) MAOBMAPTIDO1PGRBRD4
SCHEMBL10561382 0.73 MAOB (0.46) MAOBKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL11816671 0.72 ALDH1A1 (0.50) KDM4EALDH1A1ALOX15SMN1; SMN2HSD17B10
SCHEMBL9774494 0.69 SLC6A2 (0.43) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL28975294 0.67 PGR (0.56) MAPTPOLBIDO1PGRBRD4
SCHEMBL17807750 0.67 MAOB (0.47) MAOBKDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL10920990 0.67 BRD4 (0.40) MAOBMAPTIDO1BRD4
SCHEMBL12520453 0.66 IDO1 (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL23836089 0.65 IDO1 (0.46) MAOBKDM4EALDH1A1MEN1KMT2A
SCHEMBL7310972 0.65 IDO1 (0.46) MAOBKDM4EALDH1A1MEN1KMT2A

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
US-4826847-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-02 — — US disclosed
EP-0170117-A1 Oxindole derivatives, process for their preparation, pharmaceutical compositions containing them and intermediate compounds Roche Diagnostics GmbH (DE) 1986-02-05 — — EP disclosed
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