SCHEMBL23519101

SCHEMBL23519101

CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(=O)N2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ GAA P10253 1/20 0.68
▸ MAPT P10636 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ PTPN1 P18031 11/20 0.67
▸ ACP1 P24666 9/20 0.67
▸ PTPN2 P17706 8/20 0.67
▸ ITGB3 P05106 1/20 0.65
▸ ITGAV P06756 1/20 0.65
▸ AKR1B1 P15121 1/20 0.58
▸ ENPP2 Q13822 4/20 0.57
▸ AURKA O14965 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ INCENP Q9NQS7 1/20 0.56

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
SCHEMBL14876911 0.79 ITGB3 (1.00) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL14883359 0.79 ITGB3 (1.00) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL14876910 0.79 ITGB3 (1.00) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL12717615 0.79 ITGB3 (1.00) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL14876908 0.79 ITGB3 (1.00) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL4059244 0.78 PTPN1 (0.78) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL4059246 0.78 PTPN1 (0.78) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL6720206 0.73 PTPN1 (0.79) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL12177305 0.73 MGAM (0.66) MEN1ALDH1A1POLBGAAMAPT
SCHEMBL12717769 0.73 ITGB3 (0.86) MEN1ALDH1A1MAPTKMT2ANPSR1

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
WO-2021119555-A2 COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE RESPONSE KUMQUAT BIOSCIENCES INC. (US) 2021-06-17 — — WO disclosed
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