SCHEMBL22053528

SCHEMBL22053528

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ EGFR P00533 1/20 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
SCHEMBL24411467 0.84 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL20932119 0.84 ALDH1A1 (0.39) LMNAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL13119958 0.81 NPSR1 (0.40) L3MBTL1KMT2AMEN1HTTPOLB
SCHEMBL20172629 0.81 FAAH (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL25630960 0.80 FAAH (0.45) FAAHPHGDHMGLLCA12CA1
SCHEMBL22053587 0.80 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL18436868 0.80 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL12956820 0.80 FAAH (0.40) FAAHPHGDHMGLLCA12CA1
SCHEMBL20341419 0.79 FAAH (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL22648602 0.78 HSD17B2 (0.37) —

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-2020108899-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 — — WO disclosed
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