SCHEMBL4632278

SCHEMBL4632278

CCCOc1ccc(-c2cccc(C(=O)NC)c2)cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.55
PLK1 P53350 1/20 0.45
PDE4D Q08499 1/20 0.44
CREBBP Q92793 2/20 0.43
SLC6A9 P48067 1/20 0.43
FYN P06241 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL4632275 0.91 PTPN11 (0.55) PTPN11PLK1PDE4DCREBBPSLC6A9
SCHEMBL4601747 0.89 PTPN11 (0.69) PTPN11PLK1CREBBPSLC6A9MEN1
SCHEMBL14611096 0.87 PTPN11 (0.58) PTPN11CREBBPSLC6A9MKNK1MKNK2
SCHEMBL14610445 0.83 PTPN11 (0.55) PTPN11PDE4DSLC6A9MKNK1MKNK2
SCHEMBL14610792 0.82 IKBKB (0.56) PTPN11PDE4DSLC6A9MKNK1MKNK2
SCHEMBL14610581 0.82 PTPN11 (0.51) PTPN11PDE4DSLC6A9FYNMKNK1
SCHEMBL14610866 0.82 PTPN11 (0.51) PTPN11MKNK1MKNK2MAPTMEN1
SCHEMBL14610582 0.81 PTPN11 (0.50) PTPN11SLC6A9MKNK1MKNK2MAPT
SCHEMBL14610802 0.81 PTPN11 (0.50) PTPN11PDE4DMKNK1MKNK2MAPT
SCHEMBL14610583 0.80 PTPN11 (0.54) PTPN11PDE4DMKNK1MKNK2MAPT

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-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed