SCHEMBL9768401

SCHEMBL9768401

COc1ccc(C(O)CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.52
POLB P06746 1/20 0.50
ADRB3 P13945 5/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CDK9 P50750 1/20 0.46
LMNA P02545 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL8917380 0.91 ALDH1A1 (0.45) PRMT5ALDH1A1LMNAROCK2ROCK1
SCHEMBL8910713 0.84 ADRB3 (0.52) POLBADRB3SMN1; SMN2LMNA
SCHEMBL8366885 0.81 OPRM1 (0.51)
SCHEMBL8911567 0.80 ADRB3 (0.55) ADRB3
SCHEMBL8910176 0.77 TDP1 (0.53) POLBLMNAROCK2ROCK1
SCHEMBL7036804 0.76 ADRB3 (0.77) ADRB3
SCHEMBL7036235 0.76 ADRB3 (0.77) ADRB3
SCHEMBL3705016 0.74 ADRB3 (0.54) ADRB3ALDH1A1SMN1; SMN2LMNA
SCHEMBL7930108 0.74 KMT2A (0.57) POLBLMNAROCK2ROCK1
SCHEMBL11949257 0.73 SMN1; SMN2 (0.65) PRMT5POLBALDH1A1SMN1; SMN2CDK9

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-5077406-A Cyclization, deprotecting and salt formation YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-12-31 US disclosed