SCHEMBL20385057

SCHEMBL20385057

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31

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
SCHEMBL19943326 0.85 POLB (0.38) FAAHPHGDHMGLLCA12CA1
SCHEMBL19174613 0.80 FAAH (0.44) FAAHPHGDHMGLLCA12CA1
SCHEMBL22068900 0.79 ALDH1A1 (0.35) L3MBTL1KMT2AKDM4EALDH1A1MAPT
SCHEMBL19866402 0.75 MAPT (0.33) L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL18436868 0.74 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL19193232 0.72 FAAH (0.38) FAAHPHGDHMGLLCA12CA1
SCHEMBL22503861 0.70 FAAH (0.36) FAAHPHGDHMGLLCA12CA1
SCHEMBL20859796 0.70 NR1H4 (0.36) LMNAL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL19831560 0.67 MAOB (0.33) CA12CA1CA9LMNAPOLB
SCHEMBL11145953 0.66 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
EP-2252624-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2018-07-18 — — EP disclosed
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