SCHEMBL8399277

SCHEMBL8399277

CCc1nc(C)ncc1C(O)=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
JUN P05412 3/20 0.31
NFKB1 P19838 3/20 0.31
NFKB2 Q00653 3/20 0.31
RELA Q04206 3/20 0.31

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
SCHEMBL15718403 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8399261 0.81 NFKB1 (0.36) JUNNFKB1NFKB2RELA
SCHEMBL19118962 0.76 HPGD (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27915000 0.75 HPGD (0.31)
SCHEMBL2116606 0.74 KDM4E (0.38)
SCHEMBL27602031 0.74 FOS (0.35) JUNNFKB1NFKB2RELA
SCHEMBL6219197 0.73 LMNA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27471759 0.73 HTT (0.34)
SCHEMBL11601900 0.73 JUN (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12858177 0.71 NUDT1 (0.36)

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-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed