SCHEMBL4556084

SCHEMBL4556084

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cccc4[nH]ccc34)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.56
NR1H4 Q96RI1 2/20 0.48
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.46

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
SCHEMBL2818006 0.89 MEN1 (0.53) NR1H4MEN1KMT2APKMROCK2
SCHEMBL4556085 0.86 DHPS (0.52) DHPSNR1H4TUBB4ATUBBTUBA3C
SCHEMBL2815122 0.84 KMT2A (0.57) NR1H4MEN1KMT2APKMROCK2
SCHEMBL4556043 0.84 ESR1 (0.50) NR1H4MEN1KMT2APKMROCK2
SCHEMBL4563838 0.83 NR1H4 (0.45) NR1H4MEN1KMT2APKMROCK2
SCHEMBL4556083 0.82 DHPS (0.53) DHPSNR1H4TUBB4ATUBBTUBA3C
SCHEMBL2814902 0.82 MAPT (0.61) NR1H4MEN1KMT2APKMROCK2
SCHEMBL2816819 0.81 MEN1 (0.63) NR1H4MEN1KMT2APKMROCK2
SCHEMBL4555807 0.80 KMT2A (0.50) NR1H4MEN1KMT2APKMALDH1A1
SCHEMBL4564334 0.80 ROCK2 (0.45) NR1H4MEN1KMT2APKMROCK2

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