SCHEMBL12496273

SCHEMBL12496273

CC(C)=CCc1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.43
▸ PDPK1 O15530 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ P2RX7 Q99572 4/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ AKR1B1 P15121 2/20 0.36
▸ KDM1A O60341 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
SCHEMBL16827451 0.79 PYCR1 (0.43) PYCR1HTTHPGDMEN1KMT2A
SCHEMBL14139155 0.76 HTT (0.60) HTTHPGDMEN1KMT2ACYP1A2
SCHEMBL5451047 0.76 LMNA (0.43) PYCR1PDPK1MEN1KMT2ADGAT1
SCHEMBL8205 0.76 PDPK1 (0.43) PYCR1PDPK1P2RX7DGAT1AKR1B1
SCHEMBL16052518 0.74 PYCR1 (0.42) PYCR1PDPK1P2RX7DGAT1AKR1B1
SCHEMBL7947654 0.74 SLC6A4 (0.46) HTTHPGDMEN1KMT2ACYP1A2
SCHEMBL28250552 0.73 AKR1C3 (0.44) HTTHPGDMEN1KMT2ACYP1A2
SCHEMBL8444 0.73 DGAT1 (0.46) PYCR1PDPK1MEN1KMT2ACYP1A2
SCHEMBL1310479 0.72 PYCR1 (0.50) PYCR1PDPK1P2RX7DGAT1AKR1B1
SCHEMBL2095254 0.72 PYCR1 (0.46) PYCR1PDPK1DGAT1AKR1B1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683698-B1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI SA (FR) 2017-10-04 — — EP disclosed
EP-2683698-B1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI SA (FR) 2017-10-04 — — EP disclosed
US-8809325-B2 Benzyl-oxathiazine derivatives substituted with adamantane and noradamantane, medicaments containing said compounds and use thereof SANOFI (FR) 2014-08-19 — — US disclosed
US-8809325-B2 Benzyl-oxathiazine derivatives substituted with adamantane and noradamantane, medicaments containing said compounds and use thereof SANOFI (FR) 2014-08-19 — — US disclosed
EP-2683698-A1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI (FR) 2014-01-15 — — EP disclosed
WO-2012120051-A1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI (FR) 2012-09-13 — — WO disclosed
WO-2012120051-A1 BENZYL-OXATHIAZINE DERIVATES SUBSTITUTED WITH ADAMANTANE OR NORADAMANTANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI (FR) 2012-09-13 — — WO disclosed
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