SCHEMBL21500577

SCHEMBL21500577

CC(C)c1cnc(I)nc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNA7 P36544 1/20 0.31
OGA O60502 1/20 0.30

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
SCHEMBL2757603 0.74 APLNR (0.36) NPC1RAB9ACHRNA7
SCHEMBL3265716 0.74 LMNA (0.32) NPC1RAB9ACHRNA7
SCHEMBL19069423 0.72 RXRA (0.34) CHRNA7
SCHEMBL31736867 0.72 NPC1 (0.37) NPC1RAB9ACHRNA7
SCHEMBL10165324 0.72 CHRNA7 (0.31) CHRNA7
SCHEMBL84396 0.72 HSP90AA1 (0.36) NPC1RAB9ACHRNA7
SCHEMBL459264 0.72 NFKB1 (0.38) NPC1RAB9ACHRNA7
SCHEMBL103916 0.72 TYR (0.34) HDAC8NPC1RAB9ACHRNA7
SCHEMBL12979869 0.72 NPC1 (0.38) HDAC8NPC1RAB9ACHRNA7
SCHEMBL19123381 0.70 APLNR (0.33) NPC1RAB9ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed