SCHEMBL5820403

SCHEMBL5820403

O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc(I)c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.74
▸ MEN1 O00255 2/20 0.72
▸ HTT P42858 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ TP53 P04637 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ COMT P21964 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ LMNA P02545 1/20 0.55

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
SCHEMBL15424138 0.89 MAPT (0.75) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679611 0.85 MEN1 (0.74) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424140 0.84 MEN1 (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642442 0.84 MEN1 (0.79) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679581 0.84 MEN1 (0.69) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642443 0.84 MEN1 (0.72) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642412 0.84 MEN1 (1.00) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15558259 0.83 MEN1 (0.71) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15557427 0.82 MEN1 (0.75) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424152 0.81 MAPT (0.65) MAPTMEN1HTTKMT2AKDM4E

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-2006124780-A2 IH-BENZO [D] IMIDAZOLE COMPOUNDS AS INHIBITORS OF B-RAF KINASE KALYPSYS, INC. (US) 2006-11-23 — — WO disclosed
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