SCHEMBL9868423

SCHEMBL9868423

C=CCOc1cc(Br)ccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
FLT3 P36888 1/20 0.47
LIG1 P18858 1/20 0.47
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NR4A2 P43354 1/20 0.43
BLM P54132 1/20 0.42
SLC6A3 Q01959 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3933331 0.89 GAA (0.52) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL2187527 0.85 ALDH1A1 (0.50) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL13924205 0.85 FLT3 (0.55) MEN1KMT2AALDH1A1FLT3LIG1
SCHEMBL2901176 0.84 FLT3 (0.64) MEN1KMT2AALDH1A1FLT3LIG1
SCHEMBL2374331 0.84 HSP90AA1 (0.50) HTTALDH1A1HPGDFLT3LIG1
SCHEMBL10737872 0.84 GAA (0.60) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL2545851 0.83 FFAR4 (0.55) MEN1KMT2AALDH1A1FLT3LIG1
SCHEMBL7272605 0.83 GAA (0.59) MEN1KMT2AALDH1A1HPGDFLT3
SCHEMBL16055509 0.82 TDP1 (0.62) HTTKMT2AALDH1A1HPGDGAA
SCHEMBL14573823 0.82 FLT3 (0.46) MEN1KMT2AALDH1A1FLT3LIG1

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-119585263-A Phenyl substituted dihydro Cai compounds and preparation and application thereof 苏中药业集团股份有限公司 2025-03-07 CN disclosed
WO-2025011008-A1 PHARMACEUTICAL PREPARATION CONTAINING PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUND, AND USE THEREOF 苏中药业集团股份有限公司 2025-01-16 WO disclosed
CN-119302952-A Pharmaceutical preparation containing phenyl substituted dihydronaphthyridine compound and application thereof 苏中药业集团股份有限公司 2025-01-14 CN disclosed
CN-119306715-A Crystal of phenyl substituted dihydronaphthyridine compound and application thereof 苏中药业集团股份有限公司 2025-01-14 CN disclosed
CN-111116577-A Fused tetracyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2020-05-08 CN disclosed
US-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed