SCHEMBL7332230

SCHEMBL7332230

O=C(O)C(=O)NCCOCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ HTT P42858 2/20 0.63
▸ LMNA P02545 1/20 0.61
▸ ASAH1 Q13510 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 1/20 0.47
▸ PLAAT5 Q96KN8 1/20 0.44
▸ PLAAT4 Q9UL19 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL7337026 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL4769824 0.86 SMN1; SMN2 (0.67) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL12020950 0.83 SMN1; SMN2 (0.57) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL8914641 0.83 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL18626198 0.83 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL8604263 0.83 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL24873117 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL10585453 0.81 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNAASAH1ALDH1A1
SCHEMBL1577945 0.81 SMN1; SMN2 (0.75) SMN1; SMN2HTTLMNAALDH1A1
SCHEMBL3508948 0.80 SMN1; SMN2 (0.62) SMN1; SMN2HTTLMNAASAH1ALDH1A1

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
EP-0726898-B1 PHENYLINDOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2000-12-20 — — EP disclosed
US-5703087-A PSYCHOLOGICAL DISORDERS H. LUNDBECK A/S (DK) 1997-12-30 — — US disclosed
EP-0726898-A1 PHENYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-08-21 — — EP disclosed
WO-1995012591-A1 PHENYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1995-05-11 — — WO disclosed
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