SCHEMBL4434820

SCHEMBL4434820

CCc1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1C(C)(C)C#N.COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3cccnc3)c2)cc1OC.COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cccc(O)c3)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ABL1 P00519 2/20 0.42
LMNA P02545 1/20 0.41
BRAF P15056 2/20 0.39
HPSE Q9Y251 1/20 0.39
ABCB1 P08183 1/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTAFR P25105 1/20 0.38
ROCK2 O75116 1/20 0.37
RAF1 P04049 1/20 0.37
POLB P06746 1/20 0.37
PRKCA P17252 1/20 0.37
BCR P11274 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2814650 0.83 LMNA (0.60) MAPTABL1LMNABRAFHPSE
SCHEMBL2816216 0.79 ROCK2 (0.56) MAPTALDH1A1ROCK2POLBMEN1
SCHEMBL2816590 0.78 LMNA (0.62) MAPTABL1LMNAALDH1A1USP2
SCHEMBL4437668 0.77 NPC1 (0.45) MAPTALDH1A1USP2POLBMEN1
SCHEMBL2814757 0.76 NPC1 (0.52) MAPTLMNAALDH1A1USP2L3MBTL1
SCHEMBL2820320 0.76 LMNA (0.57) MAPTABL1LMNAHPSEABCB1
SCHEMBL2818037 0.75 ABL1 (0.54) MAPTABL1LMNAALDH1A1POLB
SCHEMBL4446522 0.75 LMNA (0.49) MAPTABL1LMNAHPSEABCB1
SCHEMBL4437667 0.74 NR1H4 (0.47) MAPTALDH1A1USP2POLBMEN1
SCHEMBL2817842 0.74 MEN1 (0.58) MAPTABL1LMNAALDH1A1L3MBTL1

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 disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed