SCHEMBL6139736

SCHEMBL6139736

Cc1cc(Br)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
STS P08842 1/20 0.38
EPAS1 Q99814 2/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2989290 0.83 CA1 (0.44) KMT2ASTSEPAS1KDM4EALDH1A1
SCHEMBL31195498 0.83 CA1 (0.44) KMT2ASTSEPAS1KDM4EALDH1A1
SCHEMBL13239263 0.81 EPAS1 (0.41) EPAS1ALDH1A1POLBLMNA
SCHEMBL31195545 0.81 MRGPRX4 (0.40) STSEPAS1ALDH1A1LMNASMN1; SMN2
SCHEMBL6511762 0.81 DRD2 (0.39) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL4769962 0.81 PTGDR2 (0.42) EPAS1SMN1; SMN2
SCHEMBL29365046 0.80 CA1 (0.50) KMT2ASTSKDM4EALDH1A1NPSR1
SCHEMBL31204476 0.80 TSHR (0.46) STSEPAS1KDM4EALDH1A1NPSR1
SCHEMBL1772862 0.80 CA1 (0.50) KMT2ASTSKDM4EALDH1A1NPSR1
SCHEMBL6139651 0.80 TSHR (0.41) RAB9AKMT2AMEN1EPAS1KDM4E

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 4 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
EP-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP disclosed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO disclosed