SCHEMBL3634147

SCHEMBL3634147

CCOC(=O)Cc1csc(Nc2ccc(-c3nc(C)c[nH]3)c(OC)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL3636151 0.85 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2324136 0.85 NPSR1 (0.55) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL1040135 0.84 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2331462 0.81 CSNK2A1 (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3636996 0.78 DHODH (0.59) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1037436 0.78 PSEN1 (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3635538 0.78 PLA2G7 (0.37) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL2322931 0.78 PSEN1 (0.45) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL3636545 0.77 PLA2G7 (0.37) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3636644 0.77 PLA2G7 (0.37) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1

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
EP-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed