SCHEMBL7399359

SCHEMBL7399359

N#Cc1ccc2cc(C(Br)C(=O)O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
PRSS1 P07477 1/20 0.48
GSK3B P49841 3/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
PIN1 Q13526 1/20 0.37
FFAR1 O14842 2/20 0.37

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
SCHEMBL3017980 0.83 GSK3B (0.53) GSK3BCA1CA2TSHR
SCHEMBL6490821 0.81 GSK3B (0.56) GSK3BMEN1KMT2AFFAR1
SCHEMBL11467826 0.81 AKR1C3 (0.58) F2PLGPLAUKLKB1PRSS1
SCHEMBL11471206 0.79 F2 (0.43) F2PLGPLAUKLKB1PRSS1
SCHEMBL7469569 0.79 UGT2B7 (0.52) MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6839913 0.79 UGT2B7 (0.52) MEN1KMT2AAKR1C3AKR1C2
SCHEMBL7440695 0.76 CES2 (0.53)
SCHEMBL11778400 0.72 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL1344485 0.72 CYP2A6 (0.54) F2PLGPLAUKLKB1PRSS1
SCHEMBL29489119 0.72 CYP2A6 (0.54) F2PLGPLAUKLKB1PRSS1

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-1177169-A1 6- [(ARYL AND HETEROARYL)OXY] METHYL]NAPHTHALENE -2-CARBOXIMIDAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-SYNTHELABO (FR) 2002-02-06 EP disclosed
WO-2000066545-A1 6-[[(ARYL AND HETEROARYL)OXY] METHYL]NAPHTHALENE -2-CARBOXIMIDAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-SYNTHELABO (FR) 2000-11-09 WO disclosed