SCHEMBL31200539

SCHEMBL31200539

CCOC(=O)C1CCCN(C(=O)Nc2nc3c(F)cc(F)cc3s2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PPIA P62937 1/20 0.47
▸ PPID Q08752 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SHMT2 P34897 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL31200477 0.86 NPC1 (0.60) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL31200493 0.84 RAB9A (0.56) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL24071510 0.82 NPC1 (0.67) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL25197014 0.79 NPC1 (0.68) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL25199236 0.79 NPC1 (0.68) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL31419717 0.79 RAB9A (0.59) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL24071507 0.78 NPC1 (0.67) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL24071501 0.78 NPC1 (0.70) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL24071505 0.78 NPC1 (0.63) RAB9ANPC1HTTPOLBKMT2A
SCHEMBL24071503 0.78 NPC1 (0.60) RAB9ANPC1HTTPOLBKMT2A

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-2024233501-A2 THERAPEUTIC COMPOUNDS ALLOROCK, INC. (US) 2024-11-14 — — WO disclosed
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