SCHEMBL21990719

SCHEMBL21990719

CC(C#N)n1ccnc1-c1ccccc1.CCc1nc(C)cn1C(C)C#N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.32
PLK1 P53350 1/20 0.31
PLK2 Q9NYY3 1/20 0.31
KDR P35968 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL21990720 0.84 BRD4 (0.34) BRD4CYP19A1PLK1PLK2
SCHEMBL84081 0.84 BRD4 (0.41) BRD4KDM4EALDH1A1MAPTKMT2A
SCHEMBL7671178 0.83 ALDH1A1 (0.32) ALDH1A1KMT2A
Hydrogen Sulfide SCHEMBL28846015 0.83 BRD4 (0.40) BRD4KDM4EALDH1A1MAPTKMT2A
SCHEMBL28256120 0.79 BRD4 (0.38) BRD4KDM4EALDH1A1MAPTKMT2A
SCHEMBL27943585 0.76 PDE10A (0.42) MAPTPDE10A
SCHEMBL7649337 0.76 HSD11B1 (0.41) BRD4
SCHEMBL10731025 0.76 KDM4E (0.35) KDM4EALDH1A1KDRPDE10A
Mellitic Acid SCHEMBL28628589 0.76 ESR1 (0.41) BRD4MEN1KMT2AESR1PDE10A
SCHEMBL28081900 0.75 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254798-B2 One-pack type adhesive and fuel cell separator NISSHINBO CHEMICAL INC. (JP) 2022-02-22 US disclosed
US-20200172697-A1 ONE-PACK TYPE ADHESIVE AND FUEL CELL SEPARATOR NISSHINBO CHEMICAL INC. (JP) 2020-06-04 US disclosed