SCHEMBL4555729

SCHEMBL4555729

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.52
NTRK2 Q16620 1/20 0.52
FLT3 P36888 8/20 0.51
CDK2 P24941 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAC1 P63000 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
JAK2 O60674 2/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DCLK1 O15075 1/20 0.44
MAPK13 O15264 1/20 0.44

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
SCHEMBL4555727 0.90 FLT3 (0.52) NTRK1NTRK2FLT3CDK2MEN1
SCHEMBL4555775 0.89 NTRK1 (0.51) NTRK1NTRK2FLT3CDK2MEN1
SCHEMBL27796823 0.87 NTRK1 (0.62) NTRK1NTRK2FLT3CDK2MEN1
SCHEMBL4555728 0.86 FLT3 (0.55) NTRK1NTRK2FLT3CDK2MEN1
SCHEMBL2814428 0.82 KMT2A (0.60) MEN1KMT2AMAPTSMN1; SMN2NR1H4
SCHEMBL4555774 0.82 NTRK1 (0.51) NTRK1NTRK2FLT3CDK2MEN1
SCHEMBL4556337 0.81 NPC1 (0.56) MEN1KMT2ASMN1; SMN2NR1H4
SCHEMBL4556085 0.80 DHPS (0.52) MEN1KMT2AMAPTSMN1; SMN2NR1H4
SCHEMBL27775869 0.79 NTRK1 (0.60) NTRK1NTRK2FLT3MEN1KMT2A
SCHEMBL4446449 0.79 PIN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2NR1H4

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 4 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
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