SCHEMBL20008604

SCHEMBL20008604

C=CN/C=C(\C=C(/C)N1CCCCC1)c1cc(N)ccc1C#N

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20008487 0.71 NPC1 (0.36) USP2ALDH1A1LMNAALOX12MAPT
SCHEMBL20008321 0.70 OPRK1 (0.32) USP2ALDH1A1LMNAALOX12MAPT
SCHEMBL20008164 0.68 MAPT (0.32) MAPTHTT
SCHEMBL20008179 0.67 MAPT (0.31) MAPT
SCHEMBL20008522 0.67 MAPT (0.30) MAPT
SCHEMBL22401233 0.64 KDM4E (0.49) USP2ALDH1A1LMNAKDM4EMAPT
SCHEMBL20008306 0.62
SCHEMBL14739172 0.61 KDM4E (0.49) USP2ALDH1A1LMNAKDM4EMAPT
SCHEMBL18034810 0.59 ALDH1A1 (0.54) USP2ALDH1A1LMNAKDM4EMAPT
SCHEMBL20009063 0.59 NPC1 (0.39) USP2ALDH1A1LMNAALOX12MAPT

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed