SCHEMBL6818296

SCHEMBL6818296

O=C(Cl)/C=C/c1ccc(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.49
MIF P14174 1/20 0.47
DGAT1 O75907 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
NTSR1 P30989 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
AR P10275 1/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL1572450 1.00 GPR183 (0.49) GPR183MIFDGAT1SMN1; SMN2CYP1A1
SCHEMBL17157715 0.86 SMN1; SMN2 (0.54) GPR183MIFDGAT1SMN1; SMN2NPC1
SCHEMBL17157713 0.86 SMN1; SMN2 (0.54) GPR183MIFDGAT1SMN1; SMN2NPC1
SCHEMBL1469977 0.84 MIF (0.67) GPR183MIFDGAT1SMN1; SMN2CYP1A1
SCHEMBL1469976 0.84 MIF (0.67) GPR183MIFDGAT1SMN1; SMN2CYP1A1
SCHEMBL30632952 0.83 DGAT1 (0.51) GPR183MIFDGAT1SMN1; SMN2CYP1A1
Hydrochloric Acid SCHEMBL6818301 0.83 MIF (0.65) GPR183MIFDGAT1SMN1; SMN2CYP1A1
SCHEMBL22397868 0.83 DGAT1 (0.51) GPR183MIFDGAT1SMN1; SMN2CYP1A1
SCHEMBL7480804 0.83 DGAT1 (0.51) GPR183MIFDGAT1SMN1; SMN2CYP1A1
SCHEMBL6822226 0.82 CYP1A1 (0.55) MIFCYP1A1CYP1B1

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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed