SCHEMBL8900614

SCHEMBL8900614

Cc1cc(N2CC(=O)CCC2=O)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
TSHR P16473 2/20 0.48
ALKBH5 Q6P6C2 1/20 0.40
BRD9 Q9H8M2 1/20 0.38
CTSG P08311 2/20 0.38
CMA1 P23946 2/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL851118 0.83 POLB (0.54) POLBTSHRALKBH5BRD9LMNA
SCHEMBL30731240 0.81 LMNA (0.57) POLBTSHRBRD9LMNAALDH1A1
SCHEMBL8144111 0.81 LMNA (0.57) POLBTSHRBRD9LMNAALDH1A1
SCHEMBL849389 0.74 POLB (0.48) POLBTSHRALKBH5CTSGCMA1
SCHEMBL849335 0.73 POLB (0.50) POLBTSHRALKBH5CTSGCMA1
SCHEMBL850675 0.73 POLB (0.47) POLBTSHRALKBH5CTSGCMA1
SCHEMBL11848233 0.73 POLB (0.47) POLBTSHRALKBH5CTSGCMA1
SCHEMBL5495891 0.71 POLB (0.48) POLBTSHRALKBH5CMA1LMNA
SCHEMBL848539 0.71 POLB (0.69) POLBTSHRALKBH5LMNAALDH1A1
SCHEMBL19263703 0.71 POLB (0.65) POLBTSHRALKBH5LMNAALDH1A1

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-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed