SCHEMBL29007751

SCHEMBL29007751

O=C(O)N1CC(c2cccnc2)C[C@@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
GRIN2B Q13224 1/20 0.42
CYP2A6 P11509 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.40
BLM P54132 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 1/20 0.39
TRPV6 Q9H1D0 1/20 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
SCHEMBL17240985 1.00 CYP11B2 (0.42) CYP11B2GRIN2BCYP2A6LMNAKDM4E
SCHEMBL26120343 1.00 CYP11B2 (0.42) CYP11B2GRIN2BCYP2A6LMNAKDM4E
SCHEMBL25362834 0.84 AKR1C3 (0.41) GRIN2BLMNAALDH1A1MEN1KMT2A
SCHEMBL25362718 0.84 AKR1C3 (0.41) GRIN2BLMNAALDH1A1MEN1KMT2A
SCHEMBL5576810 0.84 AKR1C3 (0.41) GRIN2BLMNAALDH1A1MEN1KMT2A
SCHEMBL26115404 0.83 GAA (0.36) GRIN2BLMNAKDM4EALDH1A1HSD11B1
SCHEMBL30571472 0.82 SRC (0.44) KDM4EALDH1A1MEN1KMT2A
SCHEMBL29007931 0.82 SRC (0.44) KDM4EALDH1A1MEN1KMT2A
SCHEMBL30181038 0.82 SRC (0.44) KDM4EALDH1A1MEN1KMT2A
SCHEMBL29008052 0.78 OPRM1 (0.40) HSD11B1

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-116157392-A Compounds targeting RNA binding proteins or RNA modification proteins 雷多纳治疗公司 2023-05-23 CN disclosed