SCHEMBL29465150

SCHEMBL29465150

COc1cc(Br)cnc1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ BACE1 P56817 5/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL21605545 1.00 MAPT (0.40) MAPTLMNANPC1RAB9AHTT
SCHEMBL3371450 0.86 LCK (0.44) MAPTNPC1RAB9AERN1MEN1
SCHEMBL17161028 0.84 MAPT (0.42) MAPTLMNANPC1RAB9AMEN1
SCHEMBL3371926 0.84 MEN1 (0.39) MAPTNPC1RAB9AERN1MEN1
Hydrochloric Acid SCHEMBL17161072 0.84 LCK (0.43) MAPTNPC1RAB9AERN1MEN1
SCHEMBL28602447 0.84 GSK3B (0.45) MAPTHTTBACE1SMN1; SMN2ALDH1A1
SCHEMBL25192702 0.82 ALOX12 (0.35) MAPTNPC1RAB9AERN1MEN1
SCHEMBL31164567 0.82 ALOX12 (0.35) MAPTNPC1RAB9AERN1MEN1
SCHEMBL18361981 0.81 KMT2A (0.40) MAPTLMNANPC1RAB9AHTT
SCHEMBL31605278 0.81 HPGDS (0.39) MAPTNPC1RAB9AERN1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114245794-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-13 — — CN disclosed
CN-114245794-A Compounds for the treatment of huntington's disease PTC医疗公司 2022-03-25 — — CN disclosed
EP-3969446-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2022-03-23 — — EP disclosed
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