SCHEMBL6139731

SCHEMBL6139731

O=S(=O)(Oc1ccc(Br)c(Cl)c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HTR1D P28221 5/20 0.39
HTR1A P08908 4/20 0.39
HTR1B P28222 4/20 0.39
HSD11B1 P28845 1/20 0.38
SOS1 Q07889 1/20 0.36
CXCR2 P25025 2/20 0.35
CHRNA3 P32297 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD4 P21917 1/20 0.35
CXCR1 P25024 1/20 0.35

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
SCHEMBL2910645 0.81 SOS1 (0.51) EPAS1CA1CA2HTR1DHTR1A
SCHEMBL22444632 0.79 MRGPRX4 (0.45) EPAS1CA1CA2HTR1DHTR1A
SCHEMBL24215026 0.77 HSD11B1 (0.45) EPAS1CA1CA2HTR1DHTR1A
SCHEMBL3045676 0.77 TDP1 (0.46) EPAS1CA1CA2HTR1DHTR1A
SCHEMBL2295646 0.77 HTR1D (0.43) EPAS1CA1CA2HTR1DHTR1A
SCHEMBL1980396 0.77 ALDH1A1 (0.43) EPAS1CA1CA2HTR1DHTR1A
SCHEMBL7112365 0.76 ADORA2A (0.43) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL24987677 0.76 CXCR2 (0.42) EPAS1CA1CA2HTR1DHTR1A
SCHEMBL4056753 0.75 CA1 (0.51) CA1CA2HTR1DHTR1AHTR1B
SCHEMBL576035 0.74 CA2 (0.50) CA1CA2HTR1DHTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-6908914-B1 Antipsychotic cyclic N-aralkylamines SANOFI-SYNTHELABO (FR) 2005-06-21 US disclosed
CN-1156462-C Antipsychotic cyclic N-aralkyl amines ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-07-07 CN disclosed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed
CN-1367783-A Antipsychotic cyclic N-aralkyl amines SANOFI SYNTHELABO (FR) 2002-09-04 CN disclosed
EP-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 WO disclosed