SCHEMBL10993952

SCHEMBL10993952

O=C(c1ccc(F)cc1)c1noc(CN2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ HSD17B10 Q99714 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ATM Q13315 3/20 0.42
▸ MITF O75030 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PHGDH O43175 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
Hydrochloric Acid SCHEMBL10926536 0.99 NPC1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL10925679 0.92 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL10930339 0.86 MAPK1 (0.40) ALDH1A1LMNAMAPTKMT2AMAPK1
SCHEMBL10925857 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1LMNAMAPTTP53
SCHEMBL10930333 0.83 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL10926181 0.80 LMNA (0.60) HTTLMNAMEN1KMT2ANPSR1
SCHEMBL10992668 0.79 MAPT (0.50) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL10925160 0.78 LMNA (0.57) SMN1; SMN2HTTLMNAMAPTMEN1
SCHEMBL10924892 0.77 LMNA (0.51) SMN1; SMN2ALDH1A1NPC1RAB9ACD274
SCHEMBL10929942 0.77 ALDH1A1 (0.47) ALDH1A1HTTLMNAMAPTMEN1

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-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US claimed
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