SCHEMBL16631764

SCHEMBL16631764

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CYP2C9 P11712 1/20 0.33
ATP6V1B2 P21281 1/20 0.33
TBXA2R P21731 1/20 0.33
EDNRA P25101 1/20 0.33
TARBP2 Q15633 1/20 0.33
KMT2A Q03164 2/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 1/20 0.31
MEN1 O00255 1/20 0.30
KDM4E B2RXH2 1/20 0.30
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
CYP2J2 P51589 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16631763 0.86 LMNA (0.34) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL16631754 0.84 MEN1 (0.33) LMNAKMT2AADORA2AADORA1MEN1
SCHEMBL18081799 0.81
SCHEMBL18080578 0.78 ADORA2A (0.30) ADORA2A
SCHEMBL16631759 0.77 KMT2A (0.32) LMNAKMT2AMEN1ALDH1A1TSHR
SCHEMBL16631757 0.74 ADORA2A (0.46) LMNAKMT2AADORA2AADORA1MEN1
SCHEMBL16631765 0.72 NPSR1 (0.33) ADORA2AADORA1KDM4EALDH1A1NPSR1
SCHEMBL16631362 0.72 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL18080576 0.69 ADORA2A (0.31) ADORA2A
SCHEMBL16631612 0.68

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