SCHEMBL2668245

SCHEMBL2668245

Oc1cc(CCc2ccccc2F)cc(-c2nc3ncccc3[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
BACE1 P56817 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PRMT5 O14744 2/20 0.49
PDE5A O76074 3/20 0.44
AURKA O14965 5/20 0.44
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
FAAH O00519 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
METAP2 P50579 1/20 0.41

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
SCHEMBL2668284 0.85 HPGD (0.54) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL712484 0.83 PRMT5 (0.52) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL10206825 0.74 PRMT5 (0.51) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL10266345 0.74 AURKA (0.58) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL2668288 0.71 PDE5A (0.53) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL7393911 0.71 AURKA (0.66) PRMT5PDE5AAURKAFAAHMETAP2
SCHEMBL10744129 0.70 AURKA (0.70) ALDH1A1HPGDHSD17B10PRMT5PDE5A
SCHEMBL7434682 0.69 AURKA (0.68) PRMT5PDE5AAURKAMETAP2METAP1
SCHEMBL712532 0.69 PRMT5 (0.43) NPC1ALDH1A1TP53HPGDRAB9A
SCHEMBL10206833 0.68 HPGD (0.52) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2

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-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed