SCHEMBL29899082

SCHEMBL29899082

O=C(Nc1cc(Br)ccn1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ ATM Q13315 1/20 0.56
▸ JAK2 O60674 1/20 0.56
▸ TYK2 P29597 1/20 0.56
▸ GRM5 P41594 3/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SORT1 Q99523 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ RIOK2 Q9BVS4 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ HCAR3 P49019 1/20 0.50

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
SCHEMBL16620629 1.00 NPC1 (0.61) NPC1RAB9AATMJAK2TYK2
SCHEMBL2783145 0.86 NPC1 (0.68) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL23410523 0.85 MAPK8 (0.62) NPC1RAB9AGRM5MAPK8MAPK10
SCHEMBL29899004 0.85 MAPK8 (0.62) NPC1RAB9AGRM5MAPK8MAPK10
SCHEMBL29899009 0.84 HTR1F (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29083781 0.84 RAB9A (0.58) NPC1RAB9AATMMEN1KMT2A
SCHEMBL23410295 0.84 HTR1F (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29083770 0.84 IDE (0.58) NPC1RAB9AATMGRM5MEN1
SCHEMBL16974225 0.84 MEN1 (0.62) NPC1RAB9AGRM5MEN1KMT2A
SCHEMBL30565890 0.84 MEN1 (0.62) NPC1RAB9AGRM5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
CN-115151256-B Novel compounds for the treatment of diseases associated with DUX4 expression 因维戈疗法有限公司 2024-08-20 — — CN disclosed
CN-115151257-B Novel compounds for the treatment of diseases associated with DUX4 expression 因维戈疗法有限公司 2024-07-12 — — CN disclosed
EP-4065107-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 — — EP disclosed
CN-115151257-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 — — CN disclosed
CN-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 — — CN disclosed
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