SCHEMBL18648565

SCHEMBL18648565

Cc1cc2c(cc1CCC(=O)O)NC(=O)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.56
▸ BRD4 O60885 1/20 0.42
▸ CA9 Q16790 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ OGT O15294 4/20 0.38
▸ MAOA P21397 6/20 0.38
▸ MAOB P27338 6/20 0.38
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ RXRG P48443 2/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18648483 0.84 ALDH1A1 (0.43) NPSR1BRD4MAOAMAOBCRBN
SCHEMBL1294634 0.83 CA9 (0.39) NPSR1BRD4CA9HDAC3HDAC4
SCHEMBL12559768 0.77 PKM (0.44) BRD4CA9MAOAMAOBPKM
SCHEMBL12559655 0.76 CA9 (0.42) BRD4CA9L3MBTL1PKM
SCHEMBL11767335 0.75 MAOA (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1294298 0.75 MAOB (0.50) CA9MAOAMAOBRXRARXRB
SCHEMBL13646686 0.73 BRD4 (0.53) BRD4CA9CRBNPKM
SCHEMBL12559675 0.73 L3MBTL1 (0.45) BRD4CA9CRBNL3MBTL1PKM
SCHEMBL1024704 0.73 CRBN (0.43) BRD4CA9OGTCRBNPOLB
SCHEMBL1294840 0.71 ALDH1A1 (0.42) BRD4HDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 — — US disclosed
Send feedback