SCHEMBL28721982

SCHEMBL28721982

CC(=O)c1cccc2[nH]c(=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
PBRM1 Q86U86 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 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
SCHEMBL29593215 1.00 PDE3B (0.53) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL30020580 0.84 PBRM1 (0.54) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL6175041 0.84 PBRM1 (0.54) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL30380476 0.82 ALDH1A1 (0.47) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL1133930 0.81 NR4A2 (0.51) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL28724402 0.78 PTPN1 (0.51) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL29593165 0.78 PTPN1 (0.51) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL30706250 0.77 KDM4E (0.43) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL827588 0.74 PBRM1 (0.59) PBRM1HRH4
SCHEMBL29497247 0.74 PBRM1 (0.59) PBRM1HRH4

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-114340740-A Beta adrenergic agonists and methods of use thereof 库拉森疗法公司 2022-04-12 CN disclosed