SCHEMBL9558706

SCHEMBL9558706

CC(C)c1nc(C(c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(F)(F)F)c(C(=O)O)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.30
KDM4E B2RXH2 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL9558428 0.91 BRS3 (0.32) CTSLCTSBCTSSCTSK
SCHEMBL7220511 0.78 AGTR1 (0.35)
SCHEMBL8293716 0.71 RAB9A (0.41) DHODHKDM4E
SCHEMBL6534713 0.70 BRS3 (0.39)
SCHEMBL5485083 0.68 NPC1 (0.44) KDM4E
SCHEMBL10589833 0.68 AGTR1 (0.37)
SCHEMBL6007153 0.66 ALOX5AP (0.41)
SCHEMBL9155822 0.65 ABL1 (0.47)
SCHEMBL29034386 0.65 DCUN1D1 (0.45)
SCHEMBL3397570 0.65 DCUN1D1 (0.47)

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
EP-0533840-A1 TREATMENT OF CHRONIC RENAL FAILURE WITH IMIDAZOLE ANGIOTENSIN-II RECEPTOR ANTAGONISTS. DU PONT (US) 1993-03-31 EP claimed