SCHEMBL8972018

SCHEMBL8972018

O=C1c2ccccc2C(=O)N1CCC=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ GLS O94925 1/20 0.44
▸ MMP2 P08253 2/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL1580097 0.89 TDP1 (0.51) MEN1KMT2AMAOBTDP1L3MBTL1
SCHEMBL6210465 0.84 KMT2A (0.50) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL6210467 0.84 KMT2A (0.50) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL17892090 0.82 GLS (0.44) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL17892087 0.82 GLS (0.44) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL23020626 0.81 NPC1 (0.47) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL22121427 0.80 GLS (0.59) RAB9ACASP3SMN1; SMN2NPC1SENP8
SCHEMBL17419395 0.78 GPR84 (0.48) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL15955946 0.78 GPR84 (0.48) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL5680357 0.77 ACHE (0.48) MEN1KMT2AALDH1A1L3MBTL1CYP1A2

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-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 — — EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 — — EP disclosed
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