SCHEMBL8994491

SCHEMBL8994491

Cc1cc(C)cc(C(=O)c2nccnc2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TPMT P51580 1/20 0.52
KMT2A Q03164 1/20 0.43
HCAR1 Q9BXC0 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALOX15 P16050 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
MYC P01106 1/20 0.37
CYP3A4 P08684 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 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
SCHEMBL8994407 0.83 POLB (0.55) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL9045280 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1TPMTHCAR1
SCHEMBL8994512 0.75 ALDH1A1 (0.52) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL69939 0.74 KDM4E (0.54) KDM4EMAPTALDH1A1KMT2AHCAR2
SCHEMBL7937175 0.72 TPMT (0.65) MAPTALDH1A1TPMTKMT2AHCAR1
SCHEMBL29113117 0.72 KDM4E (0.52) KDM4EMAPTALDH1A1KMT2AHCAR2
SCHEMBL6345905 0.72 KDM4E (0.52) KDM4EMAPTALDH1A1KMT2AHCAR2
Hydrochloric Acid SCHEMBL9356765 0.72 KDM4E (0.52) KDM4EMAPTALDH1A1KMT2AHCAR2
Water SCHEMBL335807 0.72 KDM4E (0.52) KDM4EMAPTALDH1A1KMT2AHCAR2
SCHEMBL27875395 0.72 KDM4E (0.52) KDM4EMAPTALDH1A1KMT2AHCAR2

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
US-5512564-A VIRICIDES, AIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-04-30 US disclosed
EP-0602097-B1 TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 EP disclosed
EP-0602097-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1994-06-22 EP disclosed
WO-1993005047-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 WO disclosed