SCHEMBL31076402

SCHEMBL31076402

CC(C)=CCc1ccc(Br)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 6/20 0.35
MAPT P10636 5/20 0.35
CYP2D6 P10635 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 2/20 0.34
PKM P14618 2/20 0.34
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33
KCNH2 Q12809 4/20 0.33

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
SCHEMBL27258973 0.80 PKM (0.36) MEN1KMT2AALDH1A1GAACYP3A4
SCHEMBL1755263 0.80 NPSR1 (0.41) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL10908018 0.80 CA2 (0.49) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL29434764 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2283019 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2297312 0.76 XDH (0.47) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL27741777 0.73 KMT2A (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL11052769 0.72 SLC6A2 (0.43) MEN1KMT2ALMNASLC6A2SLC6A4
SCHEMBL2522185 0.72 RECQL (0.42) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL29973253 0.72 RECQL (0.42) MEN1KMT2AALDH1A1LMNAHPGD

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
EP-4642778-A1 LSD1 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed