SCHEMBL8546294

SCHEMBL8546294

Cc1nc(O)ncc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL1434641 0.81 HPGD (0.61) HPGDKDM4EKMT2AGABRPGABRD
SCHEMBL1540141 0.79 HPGD (0.59) HPGDKDM4EKMT2AGABRPGABRD
SCHEMBL152156 0.78 HPGD (0.40) HPGDKDM4EKMT2AGABRPGABRD
SCHEMBL14327648 0.78 HPGD (0.58) HPGDKDM4EKMT2AGABRPGABRD
SCHEMBL63532 0.78 HPGD (0.58) HPGDKDM4EKMT2AGABRPGABRD
SCHEMBL24868589 0.78 HPGD (0.58) HPGDKDM4EKMT2AGABRPGABRD
SCHEMBL28125251 0.78 HPGD (0.58) HPGDKDM4EKMT2AGABRPGABRD
Hydrochloric Acid SCHEMBL11591950 0.77 HPGD (0.39) HPGDKDM4EKMT2AGABRPGABRD
Water SCHEMBL2745045 0.77 HPGD (0.39) HPGDKDM4EKMT2AGABRPGABRD
Hydrochloric Acid SCHEMBL10581860 0.76 HPGD (0.56) HPGDKDM4EKMT2AGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
EP-0850228-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-07-01 EP disclosed
WO-1997009315-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed