SCHEMBL8398500

SCHEMBL8398500

CC(C)(C)OC(=O)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 16/20 0.53
▸ ATF1 P18846 15/20 0.53
▸ JUN P05412 2/20 0.52
▸ NFKB2 Q00653 2/20 0.52
▸ RELA Q04206 2/20 0.52
▸ XPO1 O14980 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL473934 0.85 ATF1 (0.62) NFKB1ATF1JUNNFKB2RELA
SCHEMBL19282905 0.81 NFKB1 (0.43) NFKB1ATF1JUNNFKB2RELA
SCHEMBL30617280 0.81 KDM4E (0.71) NFKB1ATF1JUNNFKB2RELA
SCHEMBL1549128 0.81 KDM4E (0.71) NFKB1ATF1JUNNFKB2RELA
SCHEMBL8518174 0.80 NFKB1 (0.62) NFKB1ATF1JUNNFKB2RELA
SCHEMBL8722111 0.79 NFKB1 (0.60) NFKB1ATF1JUNNFKB2RELA
SCHEMBL79014 0.78 NFKB1 (0.60) NFKB1ATF1JUNNFKB2RELA
SCHEMBL480176 0.78 XPO1 (0.62) NFKB1ATF1JUNNFKB2RELA
SCHEMBL17315283 0.76 NFKB1 (0.58) NFKB1ATF1JUNNFKB2RELA
SCHEMBL9564861 0.76 NFKB1 (0.58) NFKB1ATF1JUNNFKB2RELA

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
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