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SCHEMBL5820102

SCHEMBL5820102

Cc1ccc(C)c(/C=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 10/20 0.58
▸ ALDH1A1 P00352 8/20 0.58
▸ CA1 P00915 3/20 0.58
▸ CA2 P00918 3/20 0.58
▸ BCHE P06276 1/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR6 P50406 1/20 0.39

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
SCHEMBL5820103 1.00 ALDH3A1 (0.58) ALDH3A1ALDH1A1CA1CA2BCHE
SCHEMBL5819897 0.90 CA1 (0.55) ALDH3A1ALDH1A1CA1CA2BCHE
SCHEMBL5819895 0.90 CA1 (0.55) ALDH3A1ALDH1A1CA1CA2BCHE
SCHEMBL5821735 0.83 CA1 (0.45) ALDH3A1ALDH1A1CA1CA2BCHE
SCHEMBL5821740 0.82 CA1 (0.41) ALDH3A1ALDH1A1CA1CA2BCHE
SCHEMBL5821742 0.82 CA1 (0.41) ALDH3A1ALDH1A1CA1CA2BCHE
SCHEMBL4575601 0.82 KDR (0.60) ALDH3A1ALDH1A1CA1CA2BCHE
SCHEMBL4575597 0.82 KDR (0.60) ALDH3A1ALDH1A1CA1CA2BCHE
Methylpiperazine SCHEMBL6424762 0.78 KDR (0.55) ALDH3A1ALDH1A1CA1CA2
Methylpiperazine SCHEMBL6424765 0.78 KDR (0.55) ALDH3A1ALDH1A1CA1CA2

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-2006105795-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 — — WO disclosed