SCHEMBL3984936

SCHEMBL3984936

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1c(Cl)cncc1Cl.Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.83
▸ MAPT P10636 4/20 0.83
▸ GAA P10253 3/20 0.83
▸ KDM4E B2RXH2 1/20 0.83
▸ TDP1 Q9NUW8 1/20 0.83
▸ PTGS2 P35354 6/20 0.65
▸ LMNA P02545 3/20 0.58
▸ TSHR P16473 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

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
SCHEMBL1225674 0.94 ALDH1A1 (0.71) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1224858 0.91 ALDH1A1 (1.00) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1224417 0.87 ALDH1A1 (0.77) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1225210 0.83 ALDH1A1 (0.72) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL6349339 0.74 GAA (0.73) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL7058846 0.73 TSHR (0.72) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL7173488 0.73 ALDH1A1 (0.66) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL6081481 0.73 GHSR (0.76) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL316185 0.73 ALDH1A1 (0.76) ALDH1A1MAPTGAAKDM4ETDP1
SCHEMBL1225498 0.71 PTGS2 (0.67) ALDH1A1MAPTGAAKDM4ETDP1

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
WO-2009064422-A2 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES ANGION BIOMEDICA CORP. (US) 2009-05-22 — — WO disclosed
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