SCHEMBL16631759

SCHEMBL16631759

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ABCC4 O15439 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
PTGS1 P23219 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
SCHEMBL16631772 0.86 KMT2A (0.32) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL16631362 0.84 KDM4E (0.33) ALDH1A1
SCHEMBL18081963 0.82
SCHEMBL18080582 0.78
SCHEMBL16631764 0.77 LMNA (0.33) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL16631765 0.77 NPSR1 (0.33) ALDH1A1NPSR1RXFP1
SCHEMBL16631754 0.75 MEN1 (0.33) KMT2AMEN1ALDH1A1TSHRHSD17B10
SCHEMBL16631758 0.73 LMNA (0.30) LMNA
SCHEMBL18081817 0.73 KDM4E (0.31) ALDH1A1
SCHEMBL16631774 0.71 MEN1 (0.33) KMT2AMEN1ALDH1A1TSHRHSD17B10

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