SCHEMBL11729670

SCHEMBL11729670

C#CC(C)(C)NC(=O)NC1=CC(=O)OC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ANO1 Q5XXA6 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
SCHEMBL7519794 0.84 NPC1 (0.40) NPC1RAB9ACA1CA9
SCHEMBL11737370 0.79 KMT2A (0.39) PKMCA1CA9
SCHEMBL11730921 0.77 ALDH1A1 (0.37)
SCHEMBL7525016 0.72 KMT2A (0.38) NPC1RAB9ACA1CA9
SCHEMBL7524839 0.71 L3MBTL1 (0.39)
SCHEMBL11571870 0.69 NPC1 (0.38) NPC1PKMRAB9AANO1
SCHEMBL11731624 0.68 KDM4E (0.32) CA1CA9
SCHEMBL7518491 0.67 MAOA (0.50) NPC1RAB9ACA1CA9
SCHEMBL7521385 0.67 MAPT (0.54) NPC1RAB9ACA1CA9
SCHEMBL7521744 0.67 RAB9A (0.50) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001425-A METHODS OF TREATING HYPERTENSION AND PHARMACEUTICAL COMPOSITIONS COMPRISING 1-TERTIARY-ALKYL-3-(SUBSTITUTED FURYL)UREAS AS ANTIHYPERTENSIVE AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 US claimed
US-3969370-A 1-Tertiary-alkyl-3-(substituted furyl)ureas as antihypertensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-13 US claimed
US-4001425-A METHODS OF TREATING HYPERTENSION AND PHARMACEUTICAL COMPOSITIONS COMPRISING 1-TERTIARY-ALKYL-3-(SUBSTITUTED FURYL)UREAS AS ANTIHYPERTENSIVE AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 US disclosed
US-3969370-A 1-Tertiary-alkyl-3-(substituted furyl)ureas as antihypertensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-13 US disclosed