SCHEMBL6273998

SCHEMBL6273998

O=C(/C=C\C(=O)ONCCc1c[nH]c2ccccc12)ONCCc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ MMP9 P14780 1/20 0.56
▸ AANAT Q16613 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ FAAH O00519 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SIRT1 Q96EB6 2/20 0.54
▸ MC5R P33032 1/20 0.54

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
SCHEMBL28875080 0.85 MEN1 (0.60) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL9559245 0.85 MEN1 (0.68) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL28242499 0.83 HTR2A (0.64) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL17495629 0.79 NMBR (0.59) MEN1KMT2ALMNACYP1A2PKM
Methyl Carbamate SCHEMBL6828080 0.77 MEN1 (0.61) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL9705533 0.77 MEN1 (0.65) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL5841251 0.77 MEN1 (0.74) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL21333616 0.77 HTR2A (0.60) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL27374530 0.77 HTR2A (0.54) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL678380 0.77 HTR2A (0.69) MEN1KMT2ALMNACYP1A2PKM

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
WO-2005107473-A2 TREATING DIGESTIVE TRACT CONDITIONS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-11-17 — — WO claimed
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