SCHEMBL20161099

SCHEMBL20161099

Cc1nn(Cc2cncnc2)c2ncccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.72
PTGDR2 Q9Y5Y4 3/20 0.39
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
NR3C1 P04150 2/20 0.37
PKM P14618 1/20 0.36
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
POLB P06746 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL20140433 0.83 L3MBTL1 (0.49) L3MBTL1PTGDR2ALDH1A1LMNAMAPK1
SCHEMBL20140277 0.80 ELANE (0.46) L3MBTL1PTGDR2ALDH1A1LMNAMAPK1
SCHEMBL21787380 0.77 L3MBTL1 (0.44) L3MBTL1PTGDR2
SCHEMBL13562830 0.77 L3MBTL1 (0.67) L3MBTL1PDE10ATSHRHTTSMN1; SMN2
SCHEMBL19264342 0.76 L3MBTL1 (0.42) L3MBTL1USP2CYP17A1CYP1A2
SCHEMBL20552850 0.74 L3MBTL1 (0.63) L3MBTL1PDE10AALDH1A1TSHRHTT
SCHEMBL19152217 0.73 L3MBTL1 (0.66) L3MBTL1
SCHEMBL25757542 0.72 L3MBTL1 (0.60) L3MBTL1PTGDR2PDE10AALDH1A1LMNA
SCHEMBL20139756 0.70 L3MBTL1 (0.51) L3MBTL1PTGDR2
SCHEMBL20161279 0.70 L3MBTL1 (0.37) L3MBTL1

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-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed