SCHEMBL11453752

SCHEMBL11453752

CC(O)NC(=O)COc1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MBTPS1 Q14703 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 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
SCHEMBL6613422 0.81 PKM (0.43) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL2565533 0.76 KMT2A (0.40) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL11850746 0.76 KMT2A (0.39) SMN1; SMN2KMT2APOLBUSP2RAB9A
SCHEMBL1803317 0.76 KDM4E (0.46) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL11453756 0.75 RAB9A (0.47) MEN1KMT2AUSP2HTTTSHR
SCHEMBL902241 0.74 ALOX15 (0.53) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL7044039 0.73 HPGD (0.56) SMN1; SMN2MAPK1MEN1KMT2APOLB
SCHEMBL7048126 0.73 HSD11B1 (0.35) SMN1; SMN2POLBRECQLTSHRRAB9A
SCHEMBL27673182 0.73 LMNA (0.53) MEN1KMT2ALMNATSHRRAB9A
SCHEMBL8749612 0.72 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1MEN1KMT2APOLB

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-4182911-A BETA-ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-01-08 — — US disclosed
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