SCHEMBL16631765

SCHEMBL16631765

CCn1cc2c(=O)cc(F)[nH]c2nc1=S

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADORA1 P30542 6/20 0.33
ADORA2A P29274 5/20 0.33
MPO P05164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16631756 0.86 ADORA1 (0.34) ADORA1ADORA2A
SCHEMBL16631759 0.77 KMT2A (0.32) NPSR1RXFP1ALDH1A1
SCHEMBL16631764 0.72 LMNA (0.33) NPSR1ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL16631362 0.72 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL18081961 0.72 ADORA1 (0.35) ADORA1ADORA2A
SCHEMBL16631928 0.70 ADORA3 (0.31) KDM4EALDH1A1
SCHEMBL16631754 0.68 MEN1 (0.33) ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL16631927 0.66 NSD2 (0.33)
SCHEMBL18081978 0.65 ADORA1 (0.49) ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL18080593 0.64 KDM4E (0.38) KDM4EALDH1A1

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
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed