SCHEMBL7385459

SCHEMBL7385459

C[C@@H]1CNc2ccc(C(F)(F)F)cc2CS1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 4/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.37
PNMT P11086 4/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 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
SCHEMBL7385453 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL7385461 1.00 HTR2A (0.40) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL6755092 0.78 MAPT (0.43) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL6755089 0.78 MAPT (0.43) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL6755085 0.78 MAPT (0.43) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL7377416 0.78 HDAC8 (0.39) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL7377409 0.78 HDAC8 (0.39) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL7377413 0.78 HDAC8 (0.39) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL7382705 0.77 HDAC8 (0.38) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL7382707 0.77 HDAC8 (0.38) MEN1GAAMAPTKMT2AALDH1A1

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-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed