SCHEMBL7700986

SCHEMBL7700986

Cc1c(-c2cccnc2CO)oc2cccc(OCCCBr)c12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 16/20 0.37
NMT1 P30419 16/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36

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
SCHEMBL6872423 0.77 NMT2 (0.42) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470363 0.74 NMT2 (0.41) NMT2NMT1
SCHEMBL3470359 0.74 NMT2 (0.39) NMT2NMT1
SCHEMBL6863131 0.73 NMT2 (0.41) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870633 0.70 NMT2 (0.65) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869191 0.70 EDNRA (0.67) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470362 0.70 NMT2 (0.42) NMT2NMT1
SCHEMBL6868030 0.69 EDNRA (0.52) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL7882840 0.69 KDM4E (0.43) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869571 0.69 NMT2 (0.41) NMT2NMT1ADRB2ADRB1ADRB3

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
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed