SCHEMBL7499153

SCHEMBL7499153

COc1ccc2[nH]c(=O)c(C#N)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.58
KDM4E B2RXH2 5/20 0.57
GAA P10253 4/20 0.57
ALDH1A1 P00352 3/20 0.57
POLB P06746 1/20 0.57
AXL P30530 1/20 0.53
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 2/20 0.51
APAF1 O14727 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GLA P06280 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 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
SCHEMBL16695793 0.88 IDH1 (0.59) IDH1KDM4EGAAALDH1A1PDGFRB
SCHEMBL19751545 0.80 DAO (0.58) IDH1KDM4EGAAALDH1A1MAPT
SCHEMBL10689448 0.78 GRIN2D (0.55) IDH1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29891877 0.78 IMPDH2 (0.51) IDH1KDM4EGAAALDH1A1CA2
SCHEMBL1429200 0.78 AXL (0.59) KDM4EGAAALDH1A1POLBAXL
SCHEMBL9269640 0.78 AXL (0.64) KDM4EGAAALDH1A1POLBAXL
SCHEMBL13637016 0.77 ALDH1A1 (0.53) KDM4EGAAALDH1A1POLBPDGFRB
SCHEMBL10690995 0.77 KDM4E (0.43) IDH1KDM4EGAAALDH1A1MAPT
SCHEMBL8139952 0.76 FLT3 (0.49) IDH1GAAPDGFRBPDGFRAALOX15
SCHEMBL10691248 0.76 DAO (0.58) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
WO-2015065338-A1 QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed
EP-0905133-B1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO (JP) 2002-04-24 EP disclosed
US-6121286-A ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, FOR TREATING ASTHMA; COMPOUNDS SUCH AS 6-METHOXY-3-(2-(3-(2-QUINOLYLMETHOXY)BENZYL)TETRAZOLYL)QUINOLIN-2-ONE KOWA CO., LTD. (JP) 2000-09-19 US disclosed
US-6117886-A EXCELLENT ANTILEUKOTRIENE ACTIVITY AND ANTIHISTAMINIC ACTIVITY, AND IS USEFUL FOR THE PREVENTION AND TREATMENT OF, FOR EXAMPLE, ASTHMA. KOWA CO., LTD. (JP) 2000-09-12 US disclosed
EP-0905133-A1 Tetrazole derivatives as LTD4 and H1 antagonists KOWA CO. LTD. (JP) 1999-03-31 EP disclosed