SCHEMBL20122822

SCHEMBL20122822

COc1ccc(-c2cc(Cl)cc3c2[nH]c2c(C)nccc23)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.41
DYRK1A Q13627 7/20 0.41
CYP19A1 P11511 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HASPIN Q8TF76 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
ADRA2A P08913 1/20 0.39
CCNB1 P14635 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL20122821 0.90 MAOA (0.47) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL30664189 0.90 MAOA (0.47) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL30664149 0.87 KIT (0.45) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL20122812 0.87 KIT (0.45) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL30664199 0.86 MAOA (0.41) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL20122814 0.86 MAOA (0.41) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL30664209 0.86 MAOA (0.43) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL20122854 0.86 MAOA (0.43) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL30664244 0.84 DYRK1A (0.41) MAOADYRK1AKDM4EALDH1A1CYP1A2
SCHEMBL20123033 0.84 DYRK1A (0.41) MAOADYRK1AKDM4EALDH1A1CYP1A2

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
EP-3792262-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2021-03-17 EP disclosed
EP-3535263-B1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI SA (FR) 2020-09-30 EP disclosed
EP-3318563-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2018-05-09 EP disclosed