SCHEMBL8422155

SCHEMBL8422155

Cc1nc2cccc(C(=O)O)c2n1-c1ccc(-c2ccccc2-c2nnn[nH]2)c(N2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
NCF1 P14598 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
TTR P02766 1/20 0.33
RECQL P46063 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PTPN1 P18031 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8421186 0.93 PKM (0.38) NCF1ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL8419094 0.84 MAPT (0.37) DHODHHPGDPOLBKDM4ERECQL
SCHEMBL8419225 0.84 DHODH (0.35) DHODHPOLBRECQLHSD17B10MAPK1
SCHEMBL8635498 0.84 KDM4E (0.37) DHODHPOLBKDM4ERECQL
SCHEMBL8419510 0.84 AKT1 (0.39) ALDH1A1GAAKDM4EMAPK1
SCHEMBL8421711 0.83 AGTR1 (0.41) KDM4E
SCHEMBL7235119 0.83 DHODH (0.43) DHODHHPGDKDM4EHSD17B10
SCHEMBL8418031 0.82 ABCB11 (0.34) DHODH
SCHEMBL8417950 0.82 ALOX15 (0.35) DHODHHSD17B10MAPK1
SCHEMBL8505356 0.82 AGTR2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed