SCHEMBL30824936

SCHEMBL30824936

Oc1cnc2oc(-c3cc(OCCF)ncn3)nc2c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.31
S1PR1 P21453 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
SCHEMBL24713067 1.00 APP (0.31) APPS1PR1
SCHEMBL30824938 0.86 IDO1 (0.31) APP
SCHEMBL30824942 0.78 APP (0.33) APP
SCHEMBL24713068 0.78 APP (0.33) APP
SCHEMBL24713026 0.76 APP (0.33) APP
SCHEMBL24713031 0.71 PIK3CA (0.39) APP
SCHEMBL24713062 0.69 HDAC1 (0.34) APP
SCHEMBL30824944 0.69 HDAC1 (0.34) APP
SCHEMBL17544065 0.67 NPC1 (0.35)
SCHEMBL30403212 0.67 NPC1 (0.35)

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
CN-117545512-A Deuterated compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-02-09 CN disclosed