SCHEMBL4448111

SCHEMBL4448111

COc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1OC.O=C(O)c1nc2cccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 2/20 0.46
HPSE Q9Y251 3/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
PTGS2 P35354 2/20 0.44
PLAU P00749 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL4448117 0.90 LMNA (0.46) LMNAMAPTMEN1KMT2APOLB
SCHEMBL4556335 0.88 NPC1 (0.58) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL4448114 0.83 LMNA (0.48) LMNAMAPTMEN1KMT2APOLB
SCHEMBL4555050 0.82 MAPT (0.45) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2814444 0.80 KMT2A (0.62) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL2624651 0.80 HPSE (0.64) LMNAMAPTMEN1KMT2APOLB
SCHEMBL4556337 0.78 NPC1 (0.56) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL4555539 0.77 MAPT (0.50) LMNAMAPTMEN1KMT2APOLB
SCHEMBL4556269 0.76 PLAU (0.47) LMNAMAPTMEN1KMT2APOLB
SCHEMBL4438559 0.76 PKM (0.47) LMNAMAPTMEN1KMT2APOLB

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