SCHEMBL29276231

SCHEMBL29276231

CN(c1nnc(Cl)c2c1CCCC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PRMT5 O14744 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
USP30 Q70CQ3 3/20 0.38
JAK1 P23458 3/20 0.37
GLS O94925 2/20 0.36
HPGDS O60760 1/20 0.36
HPGD P15428 1/20 0.36
JAK2 O60674 2/20 0.35
POLB P06746 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
NR1D1 P20393 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL30994924 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTTRPV1
SCHEMBL29276178 0.85 GSK3B (0.38) JAK1JAK2
SCHEMBL24840030 0.82 PRMT5 (0.46) MEN1KMT2ATRPV1PRMT5USP30
SCHEMBL30168043 0.82 PRMT5 (0.46) MEN1KMT2ATRPV1PRMT5USP30
SCHEMBL27292332 0.79 PRMT5 (0.41) MEN1KMT2ATRPV1PRMT5USP30
SCHEMBL27292280 0.79 PRMT5 (0.41) MEN1KMT2ATRPV1PRMT5USP30
SCHEMBL30718297 0.79 PRMT5 (0.41) MEN1KMT2ATRPV1PRMT5USP30
SCHEMBL28934494 0.78 PIM1 (0.43) MEN1KMT2AALDH1A1MAPTTRPV1
SCHEMBL24574884 0.78 PIM1 (0.43) MEN1KMT2AALDH1A1MAPTTRPV1
SCHEMBL28934282 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed