SCHEMBL8419225

SCHEMBL8419225

CSc1cc(-n2c(C)nc3cccc(C(=O)O)c32)ccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8418031 0.91 ABCB11 (0.34) DHODH
SCHEMBL8421733 0.89 ALDH1A1 (0.35)
SCHEMBL8421085 0.89 ALOX15 (0.40) POLB
SCHEMBL8419094 0.86 MAPT (0.37) DHODHRECQLHSD17B10MAPK1POLB
SCHEMBL8635498 0.86 KDM4E (0.37) DHODHRECQLPOLB
SCHEMBL8421711 0.84 AGTR1 (0.41)
SCHEMBL8422155 0.84 DHODH (0.38) DHODHRECQLHSD17B10MAPK1POLB
SCHEMBL7235119 0.84 DHODH (0.43) DHODHHSD17B10
SCHEMBL8417950 0.84 ALOX15 (0.35) DHODHHSD17B10MAPK1
SCHEMBL8419029 0.83 AGTR1 (0.37)

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-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