SCHEMBL4436370

SCHEMBL4436370

COc1ccc(C(=O)Nc2ccc(C3(C(=O)N4CCOCC4)CCCC3)cc2)cc1OC.COc1ccc(C(=O)Nc2ccc(C3(CNC(=O)C(C)(C)C)CCCC3)cc2)cc1OC.COc1ccc(C(=O)Nc2ccc(C3(CO)CCCC3)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
G6PD P11413 1/20 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
SCHEMBL2817652 0.85 KMT2A (0.69) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL2814975 0.84 KMT2A (0.59) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL2815498 0.78 KMT2A (0.67) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL2814801 0.75 KMT2A (0.62) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL2817053 0.75 TSHR (0.71) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL2817622 0.71 TSHR (0.64) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL2814692 0.70 KMT2A (0.66) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL2819698 0.70 KMT2A (0.80) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL2814616 0.70 KMT2A (0.76) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL2817570 0.70 KMT2A (0.76) KMT2AKDM4EMEN1MAPTALDH1A1

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