SCHEMBL7961863

SCHEMBL7961863

C=C(O)c1nc2cc(F)ccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AHR P35869 1/20 0.41
F2RL3 Q96RI0 3/20 0.40
ILK Q13418 1/20 0.40
AXL P30530 1/20 0.39
GFER P55789 1/20 0.39
AKR1B1 P15121 2/20 0.37
KDM4E B2RXH2 1/20 0.37
AKR1A1 P14550 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL3642370 0.83 DYRK1A (0.55) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL6982986 0.78 DYRK1A (0.61) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL417526 0.78 DYRK1A (0.54) DYRK1ANPC1RAB9AAHRF2RL3
SCHEMBL9385687 0.76 MAPT (0.46) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL9386691 0.76 DYRK1A (0.40) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL9335485 0.75 NPC1 (0.37) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL9387728 0.75 HSD17B10 (0.43) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL9335011 0.74 AKR1B1 (0.40) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL9339006 0.74 MAPT (0.44) DYRK1ANPC1MAPTRAB9ALMNA
SCHEMBL5572792 0.74 DYRK1A (0.49) DYRK1ANPC1MAPTRAB9ALMNA

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-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 WO disclosed