SCHEMBL24699528

SCHEMBL24699528

C[C@H]1CCN1c1nc2c(c(-c3cccc([C@H]4C[C@H](C(=O)O)C4)c3)n1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
KHK P50053 4/20 0.33
SPR P35270 4/20 0.33
PPARG P37231 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 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
SCHEMBL24698854 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL30015525 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL24699526 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL30015676 0.88 MEN1 (0.38) MEN1KMT2AALDH1A1PDK1PDK2
SCHEMBL30015509 0.88 MEN1 (0.38) MEN1KMT2AALDH1A1PDK1PDK2
SCHEMBL30016653 0.88 MEN1 (0.38) MEN1KMT2AALDH1A1PDK1PDK2
SCHEMBL24698449 0.88 MEN1 (0.38) MEN1KMT2AALDH1A1PDK1PDK2
SCHEMBL24698882 0.87 KDM4E (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL24699529 0.84 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL30015778 0.84 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAKDM4E

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
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed