SCHEMBL11190834

SCHEMBL11190834

N#Cc1ccc(-c2c3c(c[nH]c2=O)Sc2ccccc2N3)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
PTGS2 P35354 1/20 0.38
SNCA P37840 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL11199300 0.86 GAA (0.46) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL10989509 0.84 GGT1 (0.47) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL11188796 0.84 NOX1 (0.46) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL11181334 0.84 MEN1 (0.41) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL11187365 0.84 GAA (0.41) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL11193820 0.84 GAA (0.41) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL11181270 0.81 GGT1 (0.50) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL6545376 0.79 GAA (0.44) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL11186159 0.78 NOX1 (0.40) MEN1GAAMAPTKMT2ACYP1A2
SCHEMBL11189596 0.74 L3MBTL1 (0.48) MEN1GAAMAPTKMT2ACYP1A2

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
US-4399279-A ANOREXIGENIC AGENTS G.D. SEARLE & CO. (US) 1983-08-16 US disclosed
US-4356302-A ANOREXIGENIC AGENTS G. D. SEARLE & CO. (US) 1982-10-26 US disclosed