SCHEMBL8009141

SCHEMBL8009141

O=C(CN1CC[CH]CC1)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ NPC1 O15118 2/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ TP53 P04637 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ CHRNB2 P17787 1/20 0.61
▸ CHRNB4 P30926 1/20 0.61
▸ CHRNA3 P32297 1/20 0.61
▸ CHRNA4 P43681 1/20 0.61
▸ ME2 P23368 1/20 0.61
▸ ME1 P48163 1/20 0.61
▸ ME3 Q16798 1/20 0.61
▸ REV1 Q9UBZ9 1/20 0.59
▸ KCNA5 P22460 1/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.58
▸ HTT P42858 1/20 0.58

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
SCHEMBL6893687 0.90 ALDH1A1 (0.79) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL11147683 0.86 ALDH1A1 (0.90) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL6795359 0.85 ALDH1A1 (0.94) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL14192211 0.85 ALDH1A1 (0.72) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL27634733 0.84 ATM (0.66) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL7511057 0.82 ALDH1A1 (0.68) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL7434820 0.82 ALDH1A1 (0.68) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL17616061 0.82 ALDH1A1 (0.68) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL793647 0.82 ALDH1A1 (0.68) ALDH1A1NPC1KDM4ELMNASMN1; SMN2
SCHEMBL10122851 0.82 LMNA (1.00) ALDH1A1NPC1KDM4ELMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 — — EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 — — WO disclosed
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