SCHEMBL20123039

SCHEMBL20123039

CCc1cc(-c2cccc(OCc3nccs3)c2)c2[nH]c3c(C)nccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 15/20 0.42
DYRK1A Q13627 5/20 0.39
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
ROCK2 O75116 1/20 0.33
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNB2 O95067 1/20 0.33
CYP1A2 P05177 1/20 0.33
CDK1 P06493 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CCNB1 P14635 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL20123034 0.88 MAOA (0.40) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL30664321 0.88 MAOA (0.40) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL30664290 0.73 MAOA (0.44) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL20122942 0.73 MAOA (0.44) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL20123048 0.71 MAOA (0.40) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL30664242 0.71 MAOA (0.40) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL20122917 0.69 MAOA (0.43) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL30664336 0.69 MAOA (0.42) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL20122920 0.69 MAOA (0.42) MAOADYRK1AKDM4EALDH1A1HPGD
SCHEMBL30664174 0.69 MAOA (0.43) MAOADYRK1AKDM4EALDH1A1HPGD

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 2 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-3318563-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2018-05-09 EP disclosed