SCHEMBL14817479

SCHEMBL14817479

C=C/C(C(=O)NCC)=C(/C)N(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ FASN P49327 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PPIB P23284 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL14817478 0.81 POLQ (0.39) MTNR1AMTNR1BALDH1A1LMNAFASN
SCHEMBL2754184 0.77 ALDH1A1 (0.45) MTNR1AMTNR1BHTTALDH1A1LMNA
SCHEMBL14817474 0.75 ALDH1A1 (0.39) MTNR1AMTNR1BALDH1A1OPRM1OPRL1
SCHEMBL966680 0.73 OPRM1 (0.51) MTNR1AMTNR1BHTTALDH1A1LMNA
SCHEMBL14817523 0.72 LMNA (0.42) MTNR1AMTNR1BHTTALDH1A1LMNA
SCHEMBL13848688 0.70 KMT2A (0.36) MTNR1AMTNR1BHTTALDH1A1LMNA
SCHEMBL13893223 0.69 ALDH1A1 (0.40) MTNR1AMTNR1BALDH1A1LMNAGLA
SCHEMBL2605743 0.69 ALDH1A1 (0.54) ALDH1A1LMNAGLATSHRKMT2A
SCHEMBL319608 0.69 KMT2A (0.46) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL31187018 0.68 NPSR1 (0.47) MTNR1AMTNR1BHTTALDH1A1OPRM1

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-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 — — US disclosed
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