SCHEMBL5257331

SCHEMBL5257331

Cc1ccccc1C(=O)C(c1c[nH]c2ccc(Cl)cc12)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
IDO1 P14902 1/20 0.44
NR4A2 P43354 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
SNCA P37840 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 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
SCHEMBL5260146 0.81 SNCA (0.47) F7F3NR4A2SNCA
SCHEMBL5259743 0.81 SNCA (0.47) F7F3IDO1NR4A2MAPT
SCHEMBL5261143 0.80 LTA4H (0.51) MAPT
SCHEMBL5257270 0.76 IDO1 (0.50) IDO1
SCHEMBL5261757 0.74 ALDH1A1 (0.47) NR4A2CTNNB1WNT3AMAPT
SCHEMBL5259681 0.70 SRC (0.58) F7F3IDO1TP53MAPT
SCHEMBL7234600 0.68 F7 (0.58) F7F3NR4A2MAPT
SCHEMBL8151221 0.68 F7 (0.42) F7F3IDO1NR4A2
SCHEMBL28596805 0.68 F7 (0.54) F7F3NR4A2MAPT
SCHEMBL22955413 0.68 F7 (0.57) F7F3IDO1NR4A2GABRP

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-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed