SCHEMBL5477144

SCHEMBL5477144

N#Cc1ccc2cc(-c3cc(-c4ccc5cc(C#N)ccc5c4)cc(-c4ccc5cc(C#N)ccc5c4)c3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.61
CYP11B2 P19099 2/20 0.61
CYP17A1 P05093 1/20 0.61
HRH3 Q9Y5N1 7/20 0.47
PGR P06401 2/20 0.47
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
CYP2A6 P11509 1/20 0.44
MMP3 P08254 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 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
SCHEMBL7343284 0.85 CYP11B1 (0.65) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL29489119 0.85 CYP2A6 (0.54) CYP11B1CYP11B2CYP17A1IMPDH2IMPDH1
SCHEMBL1344485 0.85 CYP2A6 (0.54) CYP11B1CYP11B2CYP17A1IMPDH2IMPDH1
SCHEMBL26263355 0.85 CYP11B1 (0.59) CYP11B1CYP11B2CYP17A1PGRCA1
SCHEMBL23204396 0.84 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL13350234 0.84 ALDH1A1 (0.56) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL22155066 0.84 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL1389428 0.84 CYP11B1 (0.54) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL23204414 0.82 CYP11B1 (0.53) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL15946049 0.82 CYP11B1 (0.56) CYP11B1CYP11B2CYP17A1HRH3PGR

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-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed