SCHEMBL2321986

SCHEMBL2321986

Cc1ccc(-c2ccc(N[C]=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL428216 0.93 MEN1 (0.48) KIF11MEN1KMT2ALMNATDP1
SCHEMBL7789704 0.82 MEN1 (0.32) MEN1KMT2ALMNATDP1
SCHEMBL1176858 0.81 PTPN1 (0.47) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL2322244 0.79 KIF11 (0.48) KIF11MEN1KMT2ALMNATDP1
SCHEMBL14471634 0.77 RAPGEF4 (0.38) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL2322131 0.77 AURKA (0.55) KIF11MEN1KMT2ALMNAMAPT
SCHEMBL5537273 0.75 TSHR (0.43) KIF11MEN1KMT2ALMNAMAPT
SCHEMBL21836010 0.74 ALDH1A1 (0.68) MEN1KMT2ALMNATDP1MAPT
SCHEMBL2360450 0.74 EGLN1 (0.44) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL15178042 0.74 HPGD (0.67) KIF11MEN1KMT2ALMNATDP1

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed