SCHEMBL27593891

SCHEMBL27593891

Cc1c(C(N)=O)oc2cccc(OCC3CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NMT2 O60551 7/20 0.44
▸ NMT1 P30419 7/20 0.44
▸ ADRB2 P07550 4/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ ADRB3 P13945 3/20 0.43

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
SCHEMBL3617915 0.89 EDNRA (0.65) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL3617244 0.85 NPC1 (0.65) KDM4ENPC1RAB9AHSD17B10NMT2
SCHEMBL6869797 0.79 EDNRA (0.52) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL5584822 0.75 EDNRA (0.51) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL7042865 0.74 NMT2 (0.77) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6863214 0.73 NMT2 (0.55) KDM4ENPC1RAB9AHSD17B10NMT2
SCHEMBL6873768 0.72 NPC1 (0.63) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL4000543 0.72 ALDH1A1 (0.53) KDM4ENPC1RAB9A
SCHEMBL4950101 0.72 EDNRA (0.47) EDNRAKDM4ENPC1RAB9AHSD17B10
SCHEMBL28324547 0.71 PARP15 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 — — CN disclosed
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