SCHEMBL19554254

SCHEMBL19554254

N#Cc1cc(C(=O)O)c(NC(=O)c2cnc3cc(F)ccc3c2)cc1OC1COC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
GPR6 P46095 14/20 0.39
HPGDS O60760 2/20 0.36
GRM5 P41594 1/20 0.36
TBK1 Q9UHD2 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
SCHEMBL19554194 0.89 PDE5A (0.39) GPR6GRM5
SCHEMBL19554233 0.87 HDAC3 (0.41) HDAC3HPGDSGRM5
SCHEMBL19575819 0.85 JAK2 (0.33) GPR6GRM5TBK1
SCHEMBL19554158 0.82 SLC16A3 (0.46)
SCHEMBL19554182 0.77 NPC1 (0.42)
SCHEMBL19554215 0.75 SMN1; SMN2 (0.44) GRM5
SCHEMBL19555237 0.73 NPC1 (0.57) HDAC3
SCHEMBL19554219 0.73 AKR1C4 (0.48)
SCHEMBL19554178 0.72 NPC1 (0.52)
SCHEMBL19575437 0.72 KMO (0.38) GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed