SCHEMBL2721634

SCHEMBL2721634

NNC(=O)c1cc(I)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.53
MITF O75030 1/20 0.53
KMT2A Q03164 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
ALDH1A1 P00352 4/20 0.52
GFER P55789 2/20 0.52
AR P10275 2/20 0.44
KDM4E B2RXH2 3/20 0.42
BLM P54132 2/20 0.42
NSD2 O96028 1/20 0.42
LMNA P02545 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
APEX1 P27695 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
SCHEMBL13753915 0.80 NAAA (0.48) MAPTALDH1A1ARKDM4ELMNA
SCHEMBL30373808 0.80 ALDH1A1 (0.71) MAPTGAATDP1MEN1MITF
SCHEMBL9139876 0.80 ALDH1A1 (0.71) MAPTGAATDP1MEN1MITF
SCHEMBL15471933 0.79 ALDH1A1 (0.68) MAPTGAATDP1MEN1MITF
SCHEMBL15471934 0.79 KDM4E (0.44) MAPTGAATDP1MEN1MITF
SCHEMBL15471931 0.79 ALDH1A1 (0.44) MAPTGAATDP1MEN1MITF
SCHEMBL1974542 0.78 ALDH1A1 (0.48) MAPTGAATDP1MEN1MITF
SCHEMBL30887951 0.78 P2RX1 (0.60) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL2170423 0.78 P2RX1 (0.60) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL17185444 0.78 ALDH1A1 (0.44) MAPTGAATDP1MEN1MITF

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-2012051708-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES, AND METHODS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-04-26 WO disclosed