SCHEMBL8536836

SCHEMBL8536836

N=C(N)Nc1cccc(-c2ccc[c]c2NC=O)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
CNR1 P21554 1/20 0.32
BTK Q06187 4/20 0.32
PI4K2A Q9BTU6 1/20 0.32
MAPT P10636 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
KDR P35968 2/20 0.30
LIMK1 P53667 1/20 0.30
VHL P40337 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
SCHEMBL8544166 0.78 CNR1 (0.35) MGLLCNR1BTKPI4K2AF2
SCHEMBL8530521 0.72 ENPP2 (0.47) MGLL
SCHEMBL8536790 0.72 PARP1 (0.41) BTKMAPTF2F10
SCHEMBL7392337 0.71 SIGMAR1 (0.40) F2F10
SCHEMBL9871134 0.71 NQO2 (0.50) PI4K2AMAPT
SCHEMBL8432519 0.71 PTGER4 (0.45) MGLL
SCHEMBL8540200 0.69 ITGB3 (0.41)
SCHEMBL8432447 0.69 PARP1 (0.37) MGLLCNR1MAPTKDR
SCHEMBL8802890 0.68 SCN9A (0.41) MGLLCNR1MAPTKDRVHL
SCHEMBL8431256 0.68 CASR (0.38) MGLL

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed