SCHEMBL13536733

SCHEMBL13536733

Cc1ccc(Nc2cc(N(C)C)n[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HAO1 Q9UJM8 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT5A Q9NQR1 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL8346866 0.85 MEN1 (0.39) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL13536805 0.80 TRPA1 (0.45) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL13741101 0.79 MEN1 (0.46) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL3390179 0.75 MAPT (0.42) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL5207242 0.75 NPC1 (0.43) MAPTGAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1492472 0.73 NPC1 (0.42) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL13827578 0.67 NPC1 (0.46) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL2411151 0.67 TAAR1 (0.58) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL8524757 0.67 MEN1 (0.44) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL1491116 0.66 HAO1 (0.46) MAPTHAO1DHODHRAPGEF4HPGD

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-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 — — EP disclosed
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