SCHEMBL19953389

SCHEMBL19953389

O=C(O)NCC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
PTPN1 P18031 1/20 0.47
BACE1 P56817 2/20 0.47
CDC25A P30304 4/20 0.46
CDC25B P30305 4/20 0.46
MAP2K7 O14733 4/20 0.46
HKDC1 Q2TB90 2/20 0.46
TDP2 O95551 1/20 0.46
G6PD P11413 1/20 0.46
PAX8 Q06710 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 3/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
BLM P54132 2/20 0.46

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
SCHEMBL13649364 0.78 MALT1 (0.58) CYP19A1MEN1KMT2APKMMAPK1
SCHEMBL8615961 0.77 CDC25B (0.54) CYP19A1PTPN1BACE1CDC25ACDC25B
SCHEMBL6535771 0.75 CDC25A (0.56) CYP19A1PTPN1BACE1CDC25ACDC25B
SCHEMBL7912021 0.74 PTPN1 (0.52) CYP19A1PTPN1BACE1CDC25ACDC25B
SCHEMBL413750 0.74 CYP19A1 (0.63) CYP19A1PTPN1CDC25ACDC25BMAP2K7
SCHEMBL5810776 0.74 PARK7 (0.58) PTPN1BACE1CDC25ACDC25BTDP2
SCHEMBL9588537 0.73 PTPN1 (0.76) PTPN1BACE1CDC25ACDC25BMAP2K7
SCHEMBL30692083 0.72 CDC25A (0.54) CYP19A1PTPN1BACE1CDC25ACDC25B
SCHEMBL21878874 0.72 CDC25A (0.54) CYP19A1PTPN1BACE1CDC25ACDC25B
SCHEMBL11412192 0.72 CYP19A1 (0.56) CYP19A1PTPN1CDC25ACDC25BMAP2K7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed