SCHEMBL6744707

SCHEMBL6744707

Cc1nc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)c(F)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
HTT P42858 4/20 0.38
ALDH1A1 P00352 7/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35
USP2 O75604 2/20 0.35
CASP1 P29466 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GFER P55789 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6744637 0.80 TYK2 (0.33) RAB9ACASP1
SCHEMBL6746127 0.78 HTT (0.34) HPGDHTTALDH1A1LMNANPSR1
SCHEMBL6747157 0.78 TGFBR1 (0.37) HPGDALDH1A1CASP1PTGS2GAA
SCHEMBL6735516 0.77 HPGD (0.40) HPGDHTTALDH1A1CASP1PTGS2
SCHEMBL6746288 0.77 CASP1 (0.35) CASP1PTGS2
SCHEMBL6749937 0.75 PTGS2 (0.36) CASP1PTGS2
SCHEMBL6739497 0.75 HPGD (0.36) HPGDHTTALDH1A1LMNANPSR1
SCHEMBL6746753 0.74 PTGS2 (0.45) ALDH1A1LMNACASP1PTGS2KDM4E
SCHEMBL6746730 0.73 PTGS2 (0.38) CASP1PTGS2
SCHEMBL6740552 0.73 PTGS2 (0.46) HPGDHTTALDH1A1RAB9AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed