SCHEMBL8399261

SCHEMBL8399261

CCOC(=S)c1cnc(C)nc1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.36
NFKB2 Q00653 4/20 0.36
RELA Q04206 4/20 0.36
JUN P05412 3/20 0.36
HSP90AA1 P07900 1/20 0.36
FOS P01100 1/20 0.35
ALDH1A1 P00352 6/20 0.35
CSNK1D P48730 1/20 0.34
KDM4E B2RXH2 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9684348 0.83 RAB9A (0.37) NFKB1NFKB2RELAJUNHSP90AA1
SCHEMBL2022922 0.81 CSNK1D (0.38) NFKB1NFKB2RELAJUNHSP90AA1
SCHEMBL8399277 0.81 GABRP (0.35) NFKB1NFKB2RELAJUN
SCHEMBL6621732 0.80 NFKB1 (0.35) NFKB1NFKB2RELAJUNHSP90AA1
SCHEMBL243274 0.80 ALDH1A1 (0.43) NFKB1NFKB2RELAJUNHSP90AA1
SCHEMBL4717515 0.80 LMNA (0.44) NFKB1NFKB2RELAHSP90AA1ALDH1A1
SCHEMBL2027032 0.78 ALDH1A1 (0.41) NFKB1NFKB2RELAJUNHSP90AA1
SCHEMBL4825139 0.76 FOS (0.41) NFKB1NFKB2RELAJUNHSP90AA1
SCHEMBL31584465 0.75 MAPKAPK2 (0.43) NFKB1NFKB2RELAJUNFOS
SCHEMBL15718403 0.74 GABRP (0.50) NFKB1NFKB2RELAJUNHSP90AA1

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