SCHEMBL28792108

SCHEMBL28792108

CCOC(=O)c1nn(Cc2ccc(OC)cc2)cc1NC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
CACNA1G O43497 2/20 0.45
CACNA1H O95180 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL3580396 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNACACNA1GCACNA1H
SCHEMBL27163231 0.79 ALDH1A1 (0.52) MAPTALDH1A1LMNACACNA1GCACNA1H
SCHEMBL5578162 0.78 MEN1 (0.53) MAPTALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL3583470 0.77 SMN1; SMN2 (0.51) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL370013 0.77 MAPT (0.46) MAPTALDH1A1LMNAGAAHTT
SCHEMBL29975109 0.76 MAPT (0.47) MAPTALDH1A1LMNACACNA1GCACNA1H
SCHEMBL370028 0.76 KMT2A (0.53) MAPTALDH1A1LMNACACNA1GCACNA1H
SCHEMBL21858188 0.75 SMN1; SMN2 (0.45) MAPTALDH1A1LMNARAB9AGAA
SCHEMBL5578223 0.74 CACNA1G (0.47) MAPTALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL21858180 0.74 MAPT (0.43) MAPTALDH1A1LMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671878-B Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业有限公司 2023-08-04 CN disclosed
WO-2022135534-A1 SUBSTITUTED NITROGEN-CONTAINING BICYCLIC COMPOUND AND USE THEREOF 广东东阳光药业有限公司 2022-06-30 WO disclosed
CN-114671878-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业有限公司 2022-06-28 CN disclosed