SCHEMBL9744780

SCHEMBL9744780

NNC(=O)c1[nH]ccc(=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.38
GFER P55789 2/20 0.38
MPO P05164 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM5A P29375 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
GAA P10253 5/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 2/20 0.37
NSD2 O96028 1/20 0.37
ALPL P05186 1/20 0.37
POLB P06746 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL9742201 0.80 KMT2A (0.33) KDM4EALDH1A1POLBRAB9AKMT2A
SCHEMBL1207583 0.79 CCR8 (0.35) KDM4EALDH1A1MAPTKMT2ACCR8
SCHEMBL30094853 0.78 ALDH1A1 (0.38) KDM4EALDH1A1GAALMNAKMT2A
SCHEMBL9742694 0.76 KMT2A (0.41) ALDH1A1KMT2ACCR8
SCHEMBL14113784 0.76 KMT2A (0.36) ALDH1A1KMT2A
SCHEMBL26091349 0.75 ALDH1A1 (0.41) BLMGFERMPOCYP3A4KDM5A
SCHEMBL25367893 0.73 MAPT (0.39) BLMGFERMPOCYP3A4KDM5A
SCHEMBL21190834 0.73 RAB9A (0.41) BLMGFERMPOCYP3A4KDM5A
SCHEMBL14113785 0.72 HPGD (0.38) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL29042806 0.72 RAB9A (0.41) BLMGFERMPOCYP3A4KDM5A

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
US-5112968-A Monobactam hydrazide derivatives E. R. SQUIBB & SONS, INC. (US) 1992-05-12 US claimed