SCHEMBL25973903

SCHEMBL25973903

Oc1c(F)cc(-c2nccnc2Oc2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ COMT P21964 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL25375442 0.87 FEN1 (0.38) RAB9AP2RY1
SCHEMBL25973972 0.87 TRPV1 (0.39) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL25975148 0.84 NPC1 (0.36) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL30519311 0.82 SLC6A2 (0.36) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL25341461 0.82 SLC6A2 (0.36) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL25974745 0.82 KIF11 (0.51) NPC1RAB9AALDH1A1MAPTATM
SCHEMBL25340813 0.82 KCNH2 (0.38) RAB9ATRPV1MAPTATM
SCHEMBL25343367 0.82 FEN1 (0.47) COMTALDH1A1MAPTATM
SCHEMBL30519411 0.82 KCNH2 (0.38) RAB9ATRPV1MAPTATM
SCHEMBL25378801 0.81 FEN1 (0.39) —

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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