SCHEMBL4741497

SCHEMBL4741497

N#Cc1ccc(OCCCBr)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.50
CYP11B1 P15538 2/20 0.50
NSD2 O96028 1/20 0.47
NSD3 Q9BZ95 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
AR P10275 2/20 0.46
TRPV4 Q9HBA0 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
PGR P06401 2/20 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
SCHEMBL6245912 0.95 MRGPRX4 (0.52) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL13223331 0.85 CYP11B1 (0.51) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL3915058 0.84 CYP11B1 (0.51) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL3915224 0.83 MRGPRX4 (0.52) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL30580547 0.82 AR (0.50) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL11037750 0.81 ALDH1A1 (0.50) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL3918849 0.81 MRGPRX4 (0.51) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL1714514 0.81 CYP11B1 (0.44) CYP11B2CYP11B1TRPV4MAOBMAOA
SCHEMBL6246944 0.80 MAOB (0.54) CYP11B2CYP11B1NSD2NSD3MRGPRX4
SCHEMBL1180075 0.79 KDM4E (0.62) KDM4E

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
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed