SCHEMBL6034068

SCHEMBL6034068

CON(OC)c1cnc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 7/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KDM4E B2RXH2 7/20 0.45
▸ MAPT P10636 5/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ GAA P10253 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ GPR3 P46089 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL5435508 0.80 RAB9A (0.49) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL7048629 0.79 NCF1 (0.55) HTTRAB9ANPC1NPSR1RXFP1
Hydrochloric Acid SCHEMBL28590788 0.78 NCF1 (0.53) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL28585105 0.74 PDE10A (0.47) HTTRAB9ANPC1NPSR1RXFP1
Hydrochloric Acid SCHEMBL28608866 0.73 PDE10A (0.46) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL13557874 0.73 RAB9A (0.50) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL13557867 0.73 KDM4E (0.47) HTTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL14582925 0.72 PDE10A (0.44) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL4526835 0.71 HTT (0.68) HTTRAB9ANPC1NPSR1RXFP1
SCHEMBL13557884 0.71 RAB9A (0.48) HTTRAB9ANPC1NPSR1RXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687642-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2006-08-09 — — EP disclosed
WO-2005038465-A2 ANTI-VASCULAR AND ANTI-PROLIFERATION METHODS, THERAPIES, AND COMBINATIONS EMPLOYING SPECIFIC TYROSINE KINASE INHIBITORS CENTELION (FR) 2005-04-28 — — WO disclosed
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