SCHEMBL16144142

SCHEMBL16144142

Ic1ccc(N2CCC(I)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
L3MBTL1 Q9Y468 6/20 0.45
L3MBTL3 Q96JM7 5/20 0.45
AKR1C3 P42330 1/20 0.43
USP2 O75604 2/20 0.38
MBTD1 Q05BQ5 3/20 0.37
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 2/20 0.34
TP53BP1 Q12888 2/20 0.33
ABL1 P00519 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL14345952 0.81 AKR1C3 (0.57) LTA4HL3MBTL1AKR1C3USP2FAAH
SCHEMBL8338229 0.81 LTA4H (0.44) LTA4HL3MBTL1L3MBTL3AKR1C3USP2
SCHEMBL18815076 0.77 LTA4H (0.52) LTA4HL3MBTL1L3MBTL3AKR1C3USP2
SCHEMBL625677 0.77 ALDH1A1 (0.54) LTA4HL3MBTL1L3MBTL3AKR1C3USP2
SCHEMBL24003567 0.76 USP2 (0.53) L3MBTL1L3MBTL3USP2MBTD1TP53BP1
SCHEMBL14862764 0.76 LTA4H (0.45) LTA4HL3MBTL1L3MBTL3AKR1C3USP2
SCHEMBL22837853 0.76 LTA4H (0.41) LTA4HL3MBTL1L3MBTL3AKR1C3USP2
SCHEMBL22837830 0.76 HTR2A (0.43) LTA4HL3MBTL1L3MBTL3AKR1C3USP2
SCHEMBL17522147 0.76 MAPT (0.53) LTA4HL3MBTL1AKR1C3USP2FAAH
SCHEMBL4434108 0.75 LTA4H (0.56) LTA4HL3MBTL1L3MBTL3AKR1C3KDM4E

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
EP-2414352-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-10-01 EP disclosed