SCHEMBL4438562

SCHEMBL4438562

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cnc4[nH]cnc4c3)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 1/20 0.43
POLB P06746 2/20 0.43
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KDR P35968 1/20 0.42
NAMPT P43490 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 0.86 PKM (0.46) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL4556270 0.86 MEN1 (0.45) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL4438559 0.82 PKM (0.47) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL2813712 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL2816819 0.81 MEN1 (0.63) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL2815071 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL2814955 0.80 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL2816590 0.79 LMNA (0.62) KMT2AMEN1ALDH1A1PKMNPC1
SCHEMBL2819556 0.79 MEN1 (0.56) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL2815527 0.79 MEN1 (0.56) KMT2AMEN1ALDH1A1PKMRAB9A

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