SCHEMBL8977294

SCHEMBL8977294

O=c1[nH]nnn1-c1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.41
HCAR1 Q9BXC0 1/20 0.41
ADRB1 P08588 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
NOTUM Q6P988 1/20 0.38

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
SCHEMBL5905865 0.86 MGLL (0.43) HCAR1ADRB1CDK4CCND1
SCHEMBL18504514 0.85 ERCC5 (0.33) HCAR1
SCHEMBL15351683 0.84 ALDH1A1 (0.44) HCAR1
SCHEMBL8603440 0.84 P2RX7 (0.36) P2RX7HCAR1DRD2CDK4CCND1
SCHEMBL8600146 0.81 HCAR1 (0.37) HCAR1CDK4CCND1
SCHEMBL20195471 0.80 POLB (0.35) NOTUM
SCHEMBL8686970 0.75 LMNA (0.35)
SCHEMBL8977258 0.75 MAPT (0.44) CDK4CCND1NOTUM
SCHEMBL15351670 0.74 MGLL (0.32) HCAR1
SCHEMBL8598961 0.74 MAPK11 (0.39) P2RX7CDK4CCND1

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-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed