SCHEMBL7213284

SCHEMBL7213284

CCOCn1c(-c2ccccc2)cc(=O)[nH]c1=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MPO P05164 4/20 0.38
TAS2R38 P59533 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 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
SCHEMBL7213280 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ESLC2A1KMT2AMAPT
SCHEMBL9353877 0.84 ALDH1A1 (0.42) ALDH1A1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL9357376 0.79 DUT (0.51) ALDH1A1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL7213288 0.78 ALDH1A1 (0.41) ALDH1A1MTNR1AMTNR1BKMT2AMAPT
SCHEMBL26034731 0.78 MTNR1A (0.40) ALDH1A1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL9357392 0.78 ALDH1A1 (0.34) ALDH1A1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL7213422 0.75 SIRT2 (0.53) ALDH1A1KMT2AMAPTMEN1RECQL
SCHEMBL10445016 0.74 MPO (0.36) ALDH1A1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL4378111 0.73 RAB9A (0.51) ALDH1A1MTNR1AMTNR1BKMT2AMAPT
SCHEMBL6719795 0.73 DUT (0.41) ALDH1A1KMT2AMAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed