SCHEMBL31200477

SCHEMBL31200477

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.60
▸ RAB9A P51151 9/20 0.60
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ AGTR1 P30556 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CHKA P35790 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41

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
SCHEMBL31200493 0.88 RAB9A (0.56) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL25199236 0.87 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL25197014 0.87 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL31200539 0.86 RAB9A (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL24071510 0.86 NPC1 (0.67) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL24071501 0.84 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL24071507 0.84 NPC1 (0.67) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL24071512 0.82 NPC1 (0.61) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL24071505 0.81 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL24071962 0.80 RAB9A (0.88) NPC1RAB9AMAPTALDH1A1MEN1

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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