SCHEMBL2563642

SCHEMBL2563642

O=C(O)c1nc[nH]c(=O)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
GAA P10253 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MCL1 Q07820 1/20 0.41
ATM Q13315 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2551523 0.83 POLB (0.47) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL18746420 0.81 ATM (0.44) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL10591282 0.75 POLB (0.52) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL12138845 0.74 KDM4E (0.45) MEN1KMT2AALDH1A1HSD17B10GAA
SCHEMBL24161132 0.74 KMT2A (0.49) IP6K1MEN1KMT2AL3MBTL1POLB
SCHEMBL15320780 0.74 ALDH1A1 (0.48) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL52686 0.74 LMNA (0.57) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL4324119 0.73 NR4A2 (0.49) MEN1KMT2AALDH1A1TSHRNR4A1
SCHEMBL4890014 0.73 KDM4E (0.47) MEN1KMT2AALDH1A1NR4A1NR4A2
SCHEMBL15320367 0.72 ALDH1A1 (0.44) POLBALDH1A1HSD17B10USP2TSHR

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-2552915-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV Critical Outcome Technologies, Inc. (CA) 2013-02-06 EP disclosed
WO-2011120153-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2011-10-06 WO disclosed