SCHEMBL10370951

SCHEMBL10370951

Nc1cccnc1Nc1ccccc1-c1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK14 Q16539 4/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL11201136 0.90 CA12 (0.39) CA12CA1CA2CA9MAPK14
SCHEMBL11087998 0.89 KMT2A (0.40) CA12CA1CA2CA9MAPK14
SCHEMBL10778476 0.89 EGFR (0.41) CA12CA1CA2CA9MAPK14
SCHEMBL11156567 0.89 TRIM24 (0.40) CA12CA1CA2CA9MAPK14
SCHEMBL11158224 0.89 CA12 (0.38) CA12CA1CA2CA9MAPK14
SCHEMBL10373647 0.88 CA12 (0.46) CA12CA1CA2CA9MAPK14
SCHEMBL10374895 0.87 BACE1 (0.42) MAPK14TRIM24TRIM33HDAC1HDAC2
SCHEMBL11152260 0.86 MAPT (0.38) CA12CA1CA2CA9MAPK14
SCHEMBL10373172 0.86 SMN1; SMN2 (0.39) CA12CA1CA2CA9MAPK14
SCHEMBL10774326 0.86 CA12 (0.36) CA12CA1CA2CA9MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP claimed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US claimed
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP disclosed