SCHEMBL19903055

SCHEMBL19903055

Cn1cc2c(C(=O)N=O)cccc2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.38
CREBBP Q92793 2/20 0.36
DRD3 P35462 9/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
BRD4 O60885 1/20 0.35
POLQ O75417 1/20 0.35
SYK P43405 1/20 0.34
DRD2 P14416 6/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2011238 0.82 KDM4E (0.46) TNKSCREBBPBRD4KDM4E
SCHEMBL22079488 0.82 DRD3 (0.40) TNKSCREBBPDRD3MTNR1AMTNR1B
SCHEMBL22723833 0.81 SYK (0.44) TNKSSYKKDM4E
SCHEMBL28910011 0.81 KDM4E (0.44) TNKSCREBBPDRD3BRD4KDM4E
Potassium Ion SCHEMBL23858799 0.79 TNKS (0.39) TNKSCREBBPDRD3BRD4POLQ
SCHEMBL543378 0.78 NR4A2 (0.45) TNKSBRD4POLQKDM4E
SCHEMBL21353788 0.77 TNKS (0.44) TNKSDRD3SYKDRD2
SCHEMBL15808418 0.75 GAA (0.38) TNKSCREBBPBRD4SYKKDM4E
SCHEMBL30969206 0.75 KEAP1 (0.43) KDM4E
SCHEMBL21040577 0.72 TNKS (0.41) TNKSDRD3DRD2

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-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed