SCHEMBL8062276

SCHEMBL8062276

B/C(=N\NC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
METTL3 Q86U44 1/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 1/20 0.35
OPRK1 P41145 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL4487426 0.82 MEN1 (0.50) GAATDP1NPSR1MAPTPOLB
SCHEMBL4487424 0.82 MEN1 (0.50) GAATDP1NPSR1MAPTPOLB
SCHEMBL962604 0.76 ALDH1A1 (0.48) GAATDP1NPSR1MAPTPOLB
SCHEMBL960634 0.74 MAPT (0.61) GAATDP1NPSR1MAPTPOLB
SCHEMBL960636 0.74 MAPT (0.61) GAATDP1NPSR1MAPTPOLB
SCHEMBL14264702 0.74 GAA (0.41) GAATDP1NPSR1MAPTPOLB
SCHEMBL12997974 0.73 ATM (0.41) GAATDP1NPSR1MAPTPOLB
SCHEMBL8269193 0.73 CA12 (0.41) GAATDP1NPSR1MAPTPOLB
SCHEMBL26447626 0.71 TSHR (0.45) GAATDP1NPSR1MAPTPOLB
Cyanide SCHEMBL28204276 0.71 ALDH1A1 (0.44) GAATDP1NPSR1MAPTPOLB

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-2009076454-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-06-18 WO disclosed