SCHEMBL4555052

SCHEMBL4555052

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HPSE Q9Y251 2/20 0.41

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
SCHEMBL4555050 0.90 MAPT (0.45) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4556337 0.89 NPC1 (0.56) RAB9APOLBALDH1A1SMN1; SMN2TP53
SCHEMBL4555051 0.87 ALDH1A1 (0.47) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4448117 0.83 LMNA (0.46) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4439131 0.82 HPSE (0.49) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL2814428 0.80 KMT2A (0.60) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4439125 0.80 HPSE (0.49) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4556335 0.79 NPC1 (0.58) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4556044 0.76 NR1H4 (0.49) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4556081 0.76 AAK1 (0.47) MAPTALDH1A1SMN1; SMN2TP53MEN1

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-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP claimed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO claimed