SCHEMBL9535401

SCHEMBL9535401

CN(C)C=Cc1c(C#N)c(=O)n(C)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CRHBP P24387 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR2 Q13324 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
SCHEMBL9537012 1.00 GAA (0.40) GAAHPGDLMNAMEN1KMT2A
SCHEMBL9535682 0.75 LMNA (0.40) LMNAMEN1KMT2AMAPT
SCHEMBL9535687 0.75 LMNA (0.40) LMNAMEN1KMT2AMAPT
SCHEMBL10370092 0.70 MAPT (0.43) GAAHPGDLMNAMEN1KMT2A
SCHEMBL10370093 0.70 MAPT (0.43) GAAHPGDLMNAMEN1KMT2A
SCHEMBL2760401 0.67 KDM4E (0.44) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL479900 0.66 KDM4E (0.51) GAAHPGDLMNAMEN1KMT2A
SCHEMBL3798203 0.66 RXFP1 (0.41) GAALMNAMEN1KMT2AKDM4E
SCHEMBL5416093 0.64 ALDH1A1 (0.37) GAAHPGDMEN1KMT2AKDM4E
SCHEMBL8328828 0.63 AOC3 (0.45) GAAHPGDLMNAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276835-B1 PYRAZOLOTHIOPYRANOPYRAZOLES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP claimed
EP-0244352-B1 Pyrido[4,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed
US-4808618-A ANTIALLERGENS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0244352-A2 Pyrido[4,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1987-11-04 EP disclosed