SCHEMBL14686282

SCHEMBL14686282

COc1ccc(-c2ccc(Cl)cc2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAOB P27338 1/20 0.47
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NLRP3 Q96P20 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL5521150 0.90 MEN1 (0.51) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL792041 0.85 FFAR1 (0.46) CA1CA2MAOBAURKAAURKB
SCHEMBL7832063 0.84 MEN1 (0.47) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL14686350 0.84 MAPT (0.43) SMN1; SMN2MEN1KMT2AMAPTALOX15
SCHEMBL15703754 0.83 MEN1 (0.55) SMN1; SMN2MEN1KMT2AKDM4EFFAR1
SCHEMBL1520777 0.83 IDO1 (0.47) CA1CA2MAOBAURKAAURKB
SCHEMBL5250908 0.80 CYP11B1 (0.50) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL23192498 0.79 ESR1 (0.43) SMN1; SMN2MEN1KMT2AMAPTALOX15
SCHEMBL14686222 0.78 EGFR (0.50) SMN1; SMN2NLRP3MEN1KMT2AMAPT
SCHEMBL14686251 0.77 FFAR1 (0.49) SMN1; SMN2NPSR1MEN1KMT2AMAPT

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-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed