SCHEMBL21554017

SCHEMBL21554017

C=C/C(C(=C)C)=C(/N)N(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14817523 0.81 LMNA (0.42) LMNAL3MBTL1HTTPLAUKMT2A
SCHEMBL23920415 0.80 FAAH (0.36) FAAHPHGDHMGLLCA12CA1
SCHEMBL25630960 0.72 FAAH (0.45) FAAHPHGDHMGLLCA12CA1
SCHEMBL14217912 0.69 FAAH (0.50) FAAHPHGDHMGLLCA12CA1
SCHEMBL319608 0.67 KMT2A (0.46) FAAHPHGDHMGLLCA12CA1
SCHEMBL23438276 0.67 FAAH (0.44) FAAHPHGDHMGLLCA12CA1
SCHEMBL194085 0.67 HTT (0.46) FAAHPHGDHMGLLCA12CA1
SCHEMBL10438892 0.66 KMT2A (0.44) FAAHPHGDHMGLLCA12CA1
SCHEMBL23991849 0.66 FAAH (0.47) FAAHPHGDHMGLLCA12CA1
SCHEMBL14535097 0.66 FAAH (0.47) FAAHPHGDHMGLLCA12CA1

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
EP-3563848-A1 SERPIN INHIBITORS FOR THE TREATMENT OF PRION AND PRION-LIKE DISEASES S.I.S.S.A. Scuola Internazionale Superiore di Studi Avanzati (IT) 2019-11-06 — — EP disclosed
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