SCHEMBL4558727

SCHEMBL4558727

O=c1[nH]c2ccccc2[nH]1.O=c1[nH]c2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
GRIN2D O15399 2/20 0.67
GRIN3B O60391 2/20 0.67
GRIN1 Q05586 2/20 0.67
GRIN2A Q12879 2/20 0.67
GRIN2B Q13224 2/20 0.67
GRIN2C Q14957 2/20 0.67
GRIN3A Q8TCU5 2/20 0.67
CA12 O43570 2/20 0.64
PARP1 P09874 2/20 0.64
CA9 Q16790 2/20 0.64
PDE3B Q13370 2/20 0.62
PDE3A Q14432 2/20 0.62
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL29367508 1.00 KDM4E (0.67) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL37951 1.00 KDM4E (0.67) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL4647780 0.97 KDM4E (0.63) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL30275219 0.97 KDM4E (0.63) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL30832797 0.97 KDM4E (0.63) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14290240 0.84 PDE3B (0.54) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28765354 0.83 KDM4E (0.48) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30230748 0.81 KDM4E (0.52) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
Piperidine SCHEMBL8059402 0.81 KDM4E (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL239920 0.80 KDM4E (1.00) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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-7557175-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US disclosed