SCHEMBL4748570

SCHEMBL4748570

COC(=O)c1ccc(NCc2cccc(Br)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.69
CA2 P00918 4/20 0.69
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
HIF1A Q16665 3/20 0.60
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
SENP1 Q9P0U3 1/20 0.52
HKDC1 Q2TB90 1/20 0.51
ALOX5 P09917 1/20 0.51
EGFR P00533 1/20 0.51
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
AGTR1 P30556 1/20 0.49
LMNA P02545 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL11240962 0.88 MAPT (0.59) CA1CA2FFAR1FFAR4HIF1A
SCHEMBL16213186 0.86 CA1 (0.61) CA1CA2FFAR1FFAR4HIF1A
SCHEMBL4745601 0.84 CA1 (0.71) CA1CA2HIF1ANPC1RAB9A
SCHEMBL11253864 0.84 FFAR1 (0.68) CA1CA2FFAR1FFAR4HIF1A
SCHEMBL8755066 0.83 CA1 (0.69) CA1CA2FFAR1HIF1ANPC1
SCHEMBL16211427 0.82 CA1 (0.75) CA1CA2HIF1ANPC1RAB9A
SCHEMBL18415526 0.82 CA1 (1.00) CA1CA2FFAR1FFAR4HIF1A
SCHEMBL13934091 0.80 CA1 (0.87) CA1CA2HIF1ANPC1RAB9A
SCHEMBL28218792 0.79 HIF1A (0.72) CA1CA2FFAR1HIF1AMAPT
SCHEMBL15761753 0.78 HIF1A (0.85) CA1CA2HIF1ARAB9ASENP1

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
WO-2008121570-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-10-09 WO disclosed