SCHEMBL8948563

SCHEMBL8948563

CC1(C)Oc2c(N)ccc(Cl)c2C1=S

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33

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
SCHEMBL8948579 0.79 ADORA2A (0.40) ADORA2A
SCHEMBL8948529 0.66 ADORA2A (0.38) ADORA2A
SCHEMBL8948519 0.62 ALDH1A1 (0.37)
SCHEMBL8948550 0.60 CES1 (0.33) ADORA2A
SCHEMBL8948530 0.58 ADORA2A (0.41) ADORA2A
SCHEMBL21603443 0.56 CYP3A4 (0.35)
SCHEMBL28042595 0.56 TSHR (0.34) ADORA2A
SCHEMBL30181379 0.56 ALDH1A1 (0.52)
SCHEMBL2361143 0.56 ALDH1A1 (0.52)
SCHEMBL11152933 0.55 ADORA2A (0.50) ADORA2A

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed