SCHEMBL4446512

SCHEMBL4446512

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.51
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
USP2 O75604 1/20 0.44
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KDM4E B2RXH2 1/20 0.44
AXL P30530 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
SCHEMBL4446507 0.88 PKM (0.53) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL2814428 0.88 KMT2A (0.60) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL27776160 0.84 NPC1 (0.52) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL4446510 0.84 NPC1 (0.55) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL2814726 0.80 KMT2A (0.58) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL4446449 0.80 PIN1 (0.54) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL4556044 0.80 NR1H4 (0.49) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL4555552 0.80 SMN1; SMN2 (0.57) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL2814725 0.78 KMT2A (0.58) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL4438564 0.78 PKM (0.46) PKMRAB9ANPC1MEN1KMT2A

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