SCHEMBL28964725

SCHEMBL28964725

COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)CN1CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL28952234 0.91 ALDH1A1 (0.54) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL28952266 0.91 ALDH1A1 (0.47) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL28952130 0.89 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ENPSR1
SCHEMBL28952118 0.88 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ENPSR1
SCHEMBL28952293 0.88 ALDH1A1 (0.45) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL28952145 0.86 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ENPSR1
SCHEMBL28952542 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL20428330 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL20428309 0.84 ALDH1A1 (0.47) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL28964765 0.84 KDM4E (0.46) ALDH1A1MAPTRAB9AKDM4ENPSR1

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-115703755-A 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2023-02-17 CN disclosed