SCHEMBL10691865

SCHEMBL10691865

COc1cc2cc(-c3nnn[nH]3)c(=O)[nH]c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
EHMT2 Q96KQ7 1/20 0.42
KDM4E B2RXH2 13/20 0.40
ALDH1A1 P00352 12/20 0.40
HPGD P15428 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 6/20 0.37
GAA P10253 5/20 0.37
TSHR P16473 4/20 0.37
ALOX15 P16050 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 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
Water SCHEMBL10691885 0.82 KDM4E (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7506795 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL11119621 0.76 GPR35 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7499608 0.74 KDR (0.60) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9252121 0.74 DAO (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7502200 0.74 KDR (0.40) KDM4EALDH1A1HPGDSMN1; SMN2PDE3B
SCHEMBL10691644 0.74 DAO (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7503986 0.74 IDH1 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL10686471 0.74 KDR (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7507967 0.73 KDR (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed