SCHEMBL19821402

SCHEMBL19821402

CC1(C(C)(C)c2ccc(N)cc2)C=CC(OC#N)=CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL21755729 0.81 ALDH1A1 (0.46) NPC1MAPTRAB9A
SCHEMBL21755730 0.68 NPC1 (0.31) NPC1MAPTRAB9A
SCHEMBL20245854 0.65 MAPT (0.46) NPC1MAPTRAB9A
SCHEMBL23864792 0.63 ESR1 (0.38)
SCHEMBL24993131 0.61 ALDH1A1 (0.45) NPC1MAPTRAB9A
Acetonitrile SCHEMBL1027924 0.57 RAB9A (0.61) NPC1MAPTRAB9A
SCHEMBL21206368 0.57
SCHEMBL19544563 0.57 TSHR (0.34)
SCHEMBL676983 0.56 KIF11 (0.52) NPC1MAPTRAB9A
SCHEMBL358617 0.56 MAPT (0.43) NPC1MAPTRAB9A

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-3275905-B1 WATER DISPERSION OF GEL PARTICLES, PRODUCING METHOD THEREOF, AND IMAGE FORMING METHOD FUJIFILM CORP (JP) 2020-12-02 EP disclosed
EP-3275905-A1 AQUEOUS DISPERSION OF GEL PARTICLES, METHOD FOR PRODUCING SAME, AND IMAGE FORMATION METHOD FUJIFILM Corporation (JP) 2018-01-31 EP disclosed