SCHEMBL21391046

SCHEMBL21391046

FC(F)(F)c1ccc2ncn(C3CCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
MAPK10 P53779 1/20 0.47
IDO1 P14902 2/20 0.45
PRPS1 P60891 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HCAR1 Q9BXC0 5/20 0.43
CTSS P25774 1/20 0.41
NPC1 O15118 1/20 0.40
CYP11B2 P19099 2/20 0.40
ATM Q13315 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL21025784 0.85 HSD17B10 (0.44) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL18731876 0.79 DRD2 (0.42) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL16656627 0.78 HPGD (0.54) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL22239420 0.78 SCN9A (0.54) ATM
SCHEMBL2850424 0.77 LMNA (0.53) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL17678351 0.77 GAA (0.47) ALDH1A1LMNAHPGDGAAHTT
SCHEMBL18474192 0.77 HSD17B10 (0.47) ALDH1A1HPGDGAAIDO1PRPS1
SCHEMBL17678098 0.77 GAA (0.47) ALDH1A1HPGDGAAHSD17B10HCAR1
SCHEMBL13135673 0.76 USP2 (0.60) ALDH1A1LMNASMN1; SMN2HPGDNPSR1
SCHEMBL18136684 0.74 GAA (0.50) ALDH1A1LMNAHPGDGAAHTT

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed