SCHEMBL851927

SCHEMBL851927

COC(=O)c1cc(F)ccc1C=CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.41
AR P10275 2/20 0.40
HPGD P15428 2/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TNF P01375 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MAOB P27338 1/20 0.36
CYP1A2 P05177 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
SCHEMBL851926 1.00 PLA2G2A (0.41) PLA2G2AARHPGDSLC6A4SLC6A3
SCHEMBL852815 0.84 KDM4E (0.46) HPGDKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL852816 0.84 KDM4E (0.46) HPGDKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1806066 0.82 KEAP1 (0.46) ARHPGDKDM4EMEN1KMT2A
SCHEMBL1806068 0.82 KEAP1 (0.46) ARHPGDKDM4EMEN1KMT2A
SCHEMBL851752 0.80 ALDH1A1 (0.40) HPGDKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL851753 0.80 ALDH1A1 (0.40) HPGDKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL852020 0.79 BACE1 (0.51) HPGDSLC6A4SLC6A3KDM4ESMN1; SMN2
SCHEMBL852019 0.79 BACE1 (0.51) HPGDSLC6A4SLC6A3KDM4ESMN1; SMN2
SCHEMBL24950319 0.79 PLA2G2A (0.46) PLA2G2AHPGDSLC6A4SLC6A3KDM4E

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-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed