SCHEMBL4305708

SCHEMBL4305708

N=C=O.N=C=O.c1ccc2c3c(ccc2c1)C3.c1ccc2c3c(ccc2c1)C3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HPRT1 P00492 1/20 0.38
PAX8 Q06710 1/20 0.36
HIF1A Q16665 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 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
SCHEMBL31274510 0.88 ANPEP (0.55) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29811500 0.88 ANPEP (0.55) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL2535555 0.88 ANPEP (0.55) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8631958 0.86 ANPEP (0.53) ANPEPALDH1A1HSD17B10CYP2A6TSHR
Ammonia Solution, Strong SCHEMBL7354925 0.86 ANPEP (0.53) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL28626247 0.82 ANPEP (0.50) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8631956 0.79 ANPEP (0.46) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL9094448 0.79 LMNA (0.40) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30579631 0.78 HPRT1 (0.61) ANPEPALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL19810085 0.77 ANPEP (0.46) ANPEPALDH1A1HSD17B10CYP2A6TSHR

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-8703898-B2 Hyperbranched polyether polyol and urethane resin composition DIC CORPORATION (JP) 2014-04-22 US disclosed
EP-2042539-B1 HYPERBRANCHED POLYETHER POLYOL AND URETHAN RESIN COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2012-10-24 EP disclosed
US-20090286940-A1 Hyperbranched Polyether Polyol and Urethane Resin Composition DIC CORPORATION (JP) 2009-11-19 US disclosed
EP-2042539-A1 HYPERBRANCHED POLYETHER POLYOL AND URETHAN RESIN COMPOSITION DIC Corporation (JP) 2009-04-01 EP disclosed