SCHEMBL4408564

SCHEMBL4408564

COc1cc(Cl)nc2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL246231 0.78 LATS1 (0.43) KDM4ELATS1IDO1LATS2CHUK
SCHEMBL23717024 0.78 MAOA (0.43) MAOAPOLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL2539705 0.77 HPGD (0.62) POLBSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL28598438 0.76 HPGD (0.60) POLBSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL15578467 0.75 ALDH1A1 (0.59) POLBSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL28389107 0.75 LATS1 (0.45) LATS1IDO1LATS2
SCHEMBL13622775 0.75 ACHE (0.42) POLBSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL28393257 0.73 LATS1 (0.43) LMNALATS1LATS2
SCHEMBL26329083 0.73 CA12 (0.44) MAOAALDH1A1HPGDMAPTPDGFRB
SCHEMBL2533905 0.72 IGF1R (0.51) POLBSMN1; SMN2ALDH1A1HPGDMAPT

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-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed