SCHEMBL20122705

SCHEMBL20122705

Cc1nccc2c1[nH]c1c(C)cc(Cl)c(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 13/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
MAPT P10636 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
GABRB3 P28472 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL20122703 0.85 MAOA (0.41) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL29756291 0.77 DYRK1A (0.49) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL20122785 0.77 DYRK1A (0.49) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL21326121 0.77 MAOA (0.51) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL20122723 0.75 MAOA (0.49) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL20122843 0.72 MAOA (0.49) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL29756404 0.67 MAOA (0.63) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL20122725 0.67 MAOA (0.46) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL20122953 0.67 MAOA (0.46) MAOACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL5268682 0.66 MAOA (0.61) MAOACYP1A2CYP3A4KDM4EALDH1A1

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