SCHEMBL12484643

SCHEMBL12484643

COC(=O)c1cc(C)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SLC6A3 Q01959 6/20 0.44
SLC6A4 P31645 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALOX5 P09917 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 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
SCHEMBL20568733 0.84 GAA (0.51) ALDH1A1LMNARAB9ASMN1; SMN2CYP1A2
SCHEMBL1258837 0.79 ALPL (0.54) MAPTSLC6A3SLC6A4ALPLNR4A2
SCHEMBL13467343 0.79 CHRNA7 (0.60) MAPTLMNAALOX5TP53MDM2
SCHEMBL8663653 0.77 MAPT (0.46) MAPTALDH1A1LMNASLC6A3SLC6A4
SCHEMBL20569038 0.77 MAPT (0.44) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL14488079 0.76 ALDH1A1 (0.43) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL20494474 0.74 ALOX15 (0.57) MAPT
SCHEMBL30071278 0.74 ALOX15 (0.57) MAPT
SCHEMBL8663770 0.73 MAPT (0.54) MAPTALDH1A1LMNASLC6A3SLC6A4
SCHEMBL20569372 0.72 CYP1A2 (0.39) MAPTRAB9AKDM4ECYP1A2ALPL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678327-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS Lupin Limited (IN) 2014-01-01 EP disclosed
WO-2012114285-A9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-10-18 WO disclosed
WO-2012114285-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-08-30 WO disclosed