SCHEMBL14313530

SCHEMBL14313530

Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(-c4ccccc4)[nH]3)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1625383 0.90 KCNQ3 (0.54) BACE1MEN1HTTKMT2AMAPT
SCHEMBL1624457 0.89 BACE1 (0.48) BACE1MEN1HTTKMT2AKDM4E
SCHEMBL1622986 0.88 MEN1 (0.49) BACE1MEN1HTTKMT2A
SCHEMBL1624898 0.88 BACE1 (0.47) BACE1MEN1HTTKMT2AKDM4E
SCHEMBL27756790 0.86 BACE1 (0.46) BACE1MEN1HTTKMT2AKDM4E
SCHEMBL1623023 0.86 MEN1 (0.49) BACE1MEN1HTTKMT2AKDM4E
SCHEMBL1624920 0.86 BACE1 (0.45) BACE1MEN1HTTKMT2A
SCHEMBL1624738 0.86 MAPT (0.47) BACE1MEN1HTTKMT2AKDM4E
SCHEMBL1625441 0.86 BACE1 (0.45) BACE1MEN1HTTKMT2A
SCHEMBL1624835 0.85 MEN1 (0.65) BACE1MEN1HTTKMT2AALDH1A1

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-2008014291-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2008-01-31 WO disclosed