SCHEMBL13667368

SCHEMBL13667368

NC(=O)O[C@@H](Cn1ccnn1)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.47
CYP1A1 P04798 2/20 0.47

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
SCHEMBL13667370 1.00 CYP19A1 (0.47) CYP19A1CYP1A1
SCHEMBL4310536 1.00 CYP19A1 (0.47) CYP19A1CYP1A1
SCHEMBL4310568 0.86 CYP19A1 (0.46) CYP19A1CYP1A1
SCHEMBL13667452 0.86 CYP2C9 (0.41) CYP19A1CYP1A1
SCHEMBL4321666 0.86 CYP2C9 (0.41) CYP19A1CYP1A1
SCHEMBL13667364 0.83 AVPR2 (0.40)
SCHEMBL13667365 0.83 AVPR2 (0.40)
SCHEMBL4310318 0.83 AVPR2 (0.40)
SCHEMBL23138981 0.80 AVPR2 (0.42)
SCHEMBL13667366 0.80 AVPR2 (0.42)

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
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed