SCHEMBL29909502

SCHEMBL29909502

CC(C)CS(=O)(=O)c1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(Cl)ccc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.37
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAT2A P31153 6/20 0.33
PRMT5 O14744 3/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
SCD O00767 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR6 P50406 1/20 0.31
POLB P06746 1/20 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
SCHEMBL23577050 1.00 RORC (0.37) RORCFNTAFNTBMAT2APRMT5
SCHEMBL23578331 0.92 RORC (0.37) RORCFNTAFNTBMAT2APRMT5
SCHEMBL23577186 0.90 RORC (0.35) RORCFNTAFNTBMAT2APRMT5
SCHEMBL29909808 0.90 RORC (0.35) RORCFNTAFNTBMAT2APRMT5
SCHEMBL23601032 0.89 RORC (0.40) RORCFNTAFNTBSCD
SCHEMBL23601393 0.88 MAT2A (0.34) RORCFNTAFNTBMAT2APRMT5
SCHEMBL23578155 0.88 ALDH1A1 (0.39) RORCFNTAFNTBMAT2APRMT5
SCHEMBL31169425 0.88 ALDH1A1 (0.39) RORCFNTAFNTBMAT2APRMT5
SCHEMBL31229437 0.88 RORC (0.39) RORCFNTAFNTB
SCHEMBL23601424 0.88 RORC (0.39) RORCFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed