SCHEMBL4438559

SCHEMBL4438559

COc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1OC.O=C(O)c1cnc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.43
PTGS2 P35354 1/20 0.43
BRD4 O60885 1/20 0.43
PLAU P00749 1/20 0.43
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
CFTR P13569 1/20 0.42
KDR P35968 1/20 0.42
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL4438564 0.90 PKM (0.46) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4556269 0.86 PLAU (0.47) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4438562 0.82 KMT2A (0.45) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL2814444 0.82 KMT2A (0.62) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4556079 0.79 AAK1 (0.53) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4556042 0.78 ESR1 (0.49) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4446507 0.77 PKM (0.53) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4448111 0.76 LMNA (0.48) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4556271 0.76 PKM (0.46) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL4555806 0.76 MEN1 (0.51) PKMKMT2AMEN1ALDH1A1MAPT

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