SCHEMBL7433303

SCHEMBL7433303

COC(=O)Cc1ccc(Br)cc1.[O-][S+](Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL502785 0.89 CYP4F2 (0.63) CYP4F2CYP4A11L3MBTL1KDM4EGLA
SCHEMBL5536942 0.84 CYP4F2 (0.58) CYP4F2CYP4A11L3MBTL1KDM4EGLA
SCHEMBL31324172 0.81 SMN1; SMN2 (0.56) CYP4F2CYP4A11L3MBTL1KDM4EGLA
SCHEMBL4113212 0.80 CYP4F2 (0.76) CYP4F2CYP4A11L3MBTL1KDM4ESMN1; SMN2
SCHEMBL20547390 0.79 CYP4F2 (0.51) CYP4F2CYP4A11L3MBTL1KDM4EGLA
SCHEMBL25326335 0.78 TSHR (0.54) CYP4F2CYP4A11L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7960432 0.77 L3MBTL1 (0.53) CYP4F2CYP4A11L3MBTL1KDM4EGLA
SCHEMBL6560775 0.76 CYP4F2 (0.56) CYP4F2CYP4A11L3MBTL1KDM4ESMN1; SMN2
SCHEMBL7633403 0.75 L3MBTL1 (0.54) L3MBTL1KDM4EGLASMN1; SMN2KMT2A
SCHEMBL31324169 0.75 SMN1; SMN2 (0.50) CYP4F2CYP4A11L3MBTL1KDM4EGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed