SCHEMBL29025524

SCHEMBL29025524

NC(=O)OCCC[C@H](N)c1ncc(-c2ccccc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL29025526 1.00 LMNA (0.44) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL29025672 0.88 MAP4K4 (0.47) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL29025669 0.88 MAP4K4 (0.47) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL29025640 0.80 LMNA (0.34) LMNAALDH1A1CYP1A2FAAH
SCHEMBL26667486 0.80 HDAC1 (0.46) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL26667483 0.80 HDAC1 (0.46) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL24302494 0.75 MEN1 (0.45) KDM4EALDH1A1GAAHDAC1HDAC6
SCHEMBL29025543 0.74 ALDH1A1 (0.44) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL29025546 0.74 ALDH1A1 (0.44) LMNAKDM4ENPC1ALDH1A1TP53
SCHEMBL10324369 0.73 LMNA (0.56) LMNACYP1A2SMN1; SMN2

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-116367832-A Substituted heteroaryl compounds and uses thereof 苏州华明道康生物医药有限公司 2023-06-30 CN disclosed