SCHEMBL8644339

SCHEMBL8644339

CC(C)(c1cc2cc(Cl)ccc2nc1CBr)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.36
PRNP P04156 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GGPS1 O95749 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
EGFR P00533 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PPARA Q07869 1/20 0.31
KLK7 P49862 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL8644082 0.83 ALDH1A1 (0.37) RXFP1POLBMAPT
SCHEMBL8647858 0.81 KMT2A (0.40) RXFP1CYP1A2CYP2D6GGPS1PDE3B
SCHEMBL8644342 0.69 RXFP1 (0.39) RXFP1PRNPPDE3BPDE3AEGFR
SCHEMBL8644436 0.66 MMP1 (0.44)
SCHEMBL30932231 0.65 PIK3CG (0.46) CYP1A2POLBMAPT
SCHEMBL9700727 0.65 PIK3CG (0.46) CYP1A2POLBMAPT
SCHEMBL11764141 0.65 PGK1 (0.39)
SCHEMBL9700960 0.63 MAPT (0.35) RXFP1EGFRHRH4MAPT
SCHEMBL9740990 0.63 MAPT (0.35) RXFP1EGFRHRH4MAPT
SCHEMBL20156407 0.62 PIK3CG (0.40) RXFP1PDE3BPDE3AHRH4PPARA

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
US-5710139-A Heterocyclic compounds ASTRA AB (SE) 1998-01-20 US disclosed
EP-0736032-A1 HETEROCYCLIC COMPOUNDS Astra Aktiebolag (SE) 1996-10-09 EP disclosed
WO-1995017410-A1 HETEROCYCLIC COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-06-29 WO disclosed