SCHEMBL16169779

SCHEMBL16169779

O=C(O)c1ccc(COCc2ccccc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 11/20 0.67
EGLN1 Q9GZT9 3/20 0.56
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL16169828 0.87 P4HTM (0.51) P4HTMEGLN1TSHRKDM4EALDH1A1
SCHEMBL17154021 0.85 P4HTM (0.54) P4HTMEGLN1TSHRKDM4EALDH1A1
SCHEMBL1093054 0.85 KDM4E (0.58) P4HTMEGLN1TSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL18863475 0.84 P4HTM (0.52) P4HTMEGLN1TSHRKDM4EALDH1A1
SCHEMBL1421636 0.83 KDM4E (0.59) P4HTMEGLN1TSHRKDM4EALDH1A1
SCHEMBL16169628 0.81 EGLN1 (0.64) P4HTMEGLN1L3MBTL1MAPTNR4A2
SCHEMBL6434986 0.81 P4HTM (0.62) P4HTMTSHRKDM4EALDH1A1LMNA
SCHEMBL27966145 0.81 P4HTM (0.59) P4HTMEGLN1TSHRKDM4EMEN1
SCHEMBL10328717 0.81 P4HTM (0.54) P4HTMEGLN1TSHRKDM4EALDH1A1
SCHEMBL29929282 0.80 P4HTM (1.00) P4HTMLMNAMEN1CYP1A2KMT2A

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-2014168052-A1 AMIDE COMPOUND 住友化学株式会社 (JP) 2014-10-16 WO disclosed