SCHEMBL1745000

SCHEMBL1745000

C=CCc1cc2ccccc2c2c1-c1ccccc1CN2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AKR1B1 P15121 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
PARP1 P09874 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL1745002 0.73 GABRA1 (0.39) CA12CA9GABRA1GABRB2AURKA
SCHEMBL17045728 0.68 CDK4 (0.37) PARP1
SCHEMBL11792710 0.67 TRPM4 (0.42) GABRA1GABRB2AURKAKDR
SCHEMBL458515 0.67 CA12 (0.44) CA12CA9AURKAKDRPARP1
SCHEMBL5138488 0.65 HTR2A (0.42) GABRA1GABRB2AURKAKDR
SCHEMBL10522918 0.65 GABRA1 (0.43) GABRA1GABRB2AKR1B1
SCHEMBL28193331 0.64 AURKA (0.38) GABRA1GABRB2AURKAKDRAKR1B1
SCHEMBL7195961 0.64 MEN1 (0.43) GABRA1GABRB2AURKAKDR
SCHEMBL21175462 0.64 GABRA1 (0.46) GABRA1GABRB2AKR1B1
SCHEMBL17108092 0.62 CA12 (0.43) CA12CA9AURKAKDRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP disclosed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 US disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO disclosed