SCHEMBL22057652

SCHEMBL22057652

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 6/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ EGFR P00533 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
SCHEMBL25630960 0.79 FAAH (0.45) FAAHPHGDHMGLLCA12CA1
SCHEMBL9723822 0.73 FAAH (0.48) FAAHPHGDHMGLLCA12CA1
SCHEMBL22053528 0.73 FAAH (0.40) FAAHPHGDHMGLLCA12CA1
SCHEMBL20172629 0.72 FAAH (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL22053587 0.71 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL21913167 0.69 MEN1 (0.35) FAAHPHGDHMGLLCA12CA1
SCHEMBL18913688 0.69 MEN1 (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL24411467 0.68 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL21913825 0.68 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL14217912 0.68 FAAH (0.50) 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
WO-2020109434-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 — — WO disclosed
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