SCHEMBL30123697

SCHEMBL30123697

Nc1cc(N)c2oc(=O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
MGAM O43451 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 6/20 0.46
MCL1 Q07820 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP3A4 P08684 4/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 3/20 0.46
CYP1A2 P05177 3/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP2D6 P10635 2/20 0.46
PRKD3 O94806 1/20 0.46
EGFR P00533 1/20 0.46
PRKCG P05129 1/20 0.46

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
SCHEMBL29207416 1.00 GAA (0.47) GAAMGAMSIMGAM2KDM4E
SCHEMBL11942254 0.81 GAA (0.44) GAAMGAMSIMGAM2KDM4E
SCHEMBL9227196 0.81 GAA (0.49) GAAMGAMSIMGAM2KDM4E
Hydrochloric Acid SCHEMBL9229530 0.79 ALDH1A1 (0.49) GAAMGAMSIMGAM2KDM4E
SCHEMBL9180513 0.73 CYP2A6 (0.55) GAAMGAMSIMGAM2KDM4E
SCHEMBL9480006 0.72 CEL (0.42) GAAMGAMSIMGAM2KDM4E
Hydrochloric Acid SCHEMBL7409340 0.72 CYP2A6 (0.53) GAAMGAMSIMGAM2KDM4E
SCHEMBL29441432 0.69 CA12 (0.60) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL483027 0.69 CA12 (0.60) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2274975 0.68 MAOA (0.39) ALDH1A1HSD17B10CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115475540-B Polyamide composite membrane and preparation method and application thereof 万华化学集团股份有限公司 2024-05-03 CN claimed
CN-115475540-A Polyamide composite membrane and preparation method and application thereof 万华化学集团股份有限公司 2022-12-16 CN claimed
CN-115475540-B Polyamide composite membrane and preparation method and application thereof 万华化学集团股份有限公司 2024-05-03 CN disclosed
CN-115475540-A Polyamide composite membrane and preparation method and application thereof 万华化学集团股份有限公司 2022-12-16 CN disclosed