SCHEMBL10288013

SCHEMBL10288013

NCCCCCOc1cc(OCCCCCN)c(C(N)=O)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ ITGB3 P05106 4/20 0.35
▸ ITGA2B P08514 4/20 0.35
▸ HTT P42858 2/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33

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
SCHEMBL10288012 0.87 CYP3A4 (0.43) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL12209918 0.79 MEN1 (0.46) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL19219791 0.76 ALDH1A1 (0.38) CYP3A4HDAC6HTTKDM4EALDH1A1
SCHEMBL19945144 0.73 ALDH1A1 (0.35) CYP3A4HTTKDM4EALDH1A1HPGD
SCHEMBL12444086 0.72 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL14641571 0.72 CYP3A4 (0.51) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL19445561 0.70 ALDH1A1 (0.60) LMNACYP3A4MAPTMKNK1MKNK2
SCHEMBL12444102 0.70 MTNR1A (0.43) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9417892 0.69 CYP3A4 (0.41) LMNACYP3A4MAPTSMN1; SMN2
SCHEMBL12515246 0.68 ALDH1A1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
WO-2012158672-A2 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS POLYMEDIX, INC. (US) 2012-11-22 — — WO disclosed
WO-2012006315-A2 METHODS OF IMMUNE MODULATION POLYMEDIX, INC. (US) 2012-01-12 — — WO disclosed
WO-2011084970-A1 ANTI-HEPARIN COMPOUNDS POLYMEDIX INC. (US) 2011-07-14 — — WO disclosed
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