SCHEMBL13086505

SCHEMBL13086505

O=c1[nH]ccc2ccc(B(O)O)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.58
PARP1 P09874 2/20 0.48
CHEK1 O14757 3/20 0.47
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ROCK2 O75116 7/20 0.40
ATIC P31939 1/20 0.38
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
PARP15 Q460N3 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL13086174 0.86 ENPP2 (0.53) ENPP2PARP1CHEK1CA1CA2
SCHEMBL31139487 0.76 CA2 (0.58) ENPP2CA1CA2KDM4EALDH1A1
SCHEMBL29379996 0.76 PARP1 (0.53) PARP1CHEK1ROCK2ATICGRM5
SCHEMBL1536457 0.76 CHEK1 (0.77) PARP1CHEK1ROCK2ALDH1A1
SCHEMBL1038250 0.76 PARP1 (0.53) PARP1CHEK1ROCK2ATICGRM5
SCHEMBL31352392 0.76 CHEK1 (0.77) PARP1CHEK1ROCK2ALDH1A1
SCHEMBL14847334 0.73 PLG (0.53) ENPP2PARP1ROCK2GRM5KDM4E
SCHEMBL6091 0.73 ENPP2 (1.00) ENPP2CA1CA2KDM4EALDH1A1
SCHEMBL29419532 0.73 ENPP2 (1.00) ENPP2CA1CA2KDM4EALDH1A1
SCHEMBL15962132 0.73 MAPK14 (0.46) ENPP2PARP1ROCK2GRM5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8802064-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-8546564-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
WO-2010118155-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed