SCHEMBL16631772

SCHEMBL16631772

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
ABCC4 O15439 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 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
SCHEMBL16631758 0.87 LMNA (0.30) LMNA
SCHEMBL16631759 0.86 KMT2A (0.32) KMT2AMEN1LMNAABCC4PKM
SCHEMBL16631774 0.85 MEN1 (0.33) KMT2AMEN1LMNAABCC4PKM
SCHEMBL16631683 0.83 MEN1 (0.30) KMT2AMEN1LMNAABCC4PKM
SCHEMBL18081817 0.81 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL16631558 0.79 SMN1; SMN2 (0.32) KMT2AMEN1LMNAABCC4PKM
SCHEMBL18080580 0.77
SCHEMBL16631756 0.75 ADORA1 (0.34) LMNA
SCHEMBL18081963 0.72
SCHEMBL16631529 0.71 KDM4E (0.33) KMT2AALDH1A1KDM4E

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