SCHEMBL29063415

SCHEMBL29063415

O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)N1CCC(C2CCN(C(=O)c3cccc(-c4nc5ccccc5[nH]4)n3)CC2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.84
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.47
HTR2B P41595 8/20 0.47
HRH4 Q9H3N8 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ATR Q13535 1/20 0.44
RBP4 P02753 1/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Omilancor SCHEMBL17706588 0.92 LANCL2 (1.00) LANCL2MEN1KMT2AHSD11B1HTR2B
Omilancor SCHEMBL29349469 0.92 LANCL2 (1.00) LANCL2MEN1KMT2AHSD11B1HTR2B
SCHEMBL25311793 0.91 LANCL2 (0.80) LANCL2MEN1KMT2AHSD11B1HTR2B
SCHEMBL29466269 0.91 LANCL2 (0.80) LANCL2MEN1KMT2AHSD11B1HTR2B
SCHEMBL29484591 0.89 LANCL2 (0.77) LANCL2HTR2B
SCHEMBL25310510 0.89 LANCL2 (0.77) LANCL2HTR2B
SCHEMBL17705594 0.88 LANCL2 (0.88) LANCL2MEN1KMT2AHSD11B1HTR2B
SCHEMBL21043129 0.88 LANCL2 (0.93) LANCL2MEN1KMT2AHSD11B1HTR2B
SCHEMBL18805072 0.88 LANCL2 (0.88) LANCL2MEN1KMT2AHTR2BHRH4
SCHEMBL25311738 0.88 LANCL2 (0.80) LANCL2MEN1KMT2AHTR2BHRH4

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-116670137-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-08-29 CN disclosed