SCHEMBL29132406

SCHEMBL29132406

COC(=O)c1cc(N2CCc3ccccc32)c(Br)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 7/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 4/20 0.41
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 2/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 4/20 0.39

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
SCHEMBL25204076 0.77 MAPK1 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL29132420 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL156641 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL17276154 0.69 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL16505938 0.67 RXRA (0.50) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL11445874 0.66 ALDH1A1 (0.64) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL2325062 0.66 OPRD1 (0.51) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL29271619 0.66 KDM4E (0.41) ALDH1A1L3MBTL1HPGDKDM4ENPSR1
SCHEMBL30529417 0.66 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL1529974 0.66 GSK3B (0.53) MEN1KMT2AALDH1A1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819412-B Synthesis method and intermediate of N-heterocycle BET bromodomain inhibitor 成都苑东生物制药股份有限公司 2025-03-14 CN disclosed
CN-115819412-A Synthetic method of N-heterocyclic BET bromodomain inhibitor and intermediate thereof 成都苑东生物制药股份有限公司 2023-03-21 CN disclosed