SCHEMBL20123021

SCHEMBL20123021

COC(=O)c1cc2c3c([nH]c2c(C)n1)=C(c1ccc(OC)cc1)[C@@H](C)C(Cl)C=3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DYRK1A Q13627 2/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPC1 O15118 1/20 0.34
ALPL P05186 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2A P14555 2/20 0.34
BACE1 P56817 1/20 0.34
JAK2 O60674 3/20 0.34

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
SCHEMBL20123029 0.72 MAPT (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21044375 0.64 ALDH1A1 (0.54) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29817530 0.63 MAPT (1.00) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27893270 0.63 MAPT (1.00) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30663714 0.63 DYRK1A (0.62) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21384050 0.63 DYRK1A (0.62) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2213731 0.62 HDAC1 (0.70) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15383825 0.61 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29227283 0.61 MAPT (0.71) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28073839 0.61 MAPT (0.71) MAPTALDH1A1KDM4EHPGDHSD17B10

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