SCHEMBL6978848

SCHEMBL6978848

CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2I)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.59
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
RET P07949 2/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
KDR P35968 1/20 0.48
HTT P42858 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.47
CYP3A4 P08684 3/20 0.47
MEN1 O00255 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FTO Q9C0B1 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
SCHEMBL6982270 0.83 PTGS2 (0.59) PTGS2LMNATP53RETTSHR
SCHEMBL6974845 0.82 PTGS2 (0.72) PTGS2LMNATP53ABCG2CYP3A4
SCHEMBL1423181 0.82 KMT2A (0.65) LMNATP53RETTSHRALOX12
SCHEMBL6978328 0.82 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6973940 0.80 PTGS2 (0.69) PTGS2LMNATP53RETTSHR
SCHEMBL6977093 0.80 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL28555552 0.80 CYP3A4 (0.51) LMNATP53RETTSHRALOX12
SCHEMBL28539232 0.80 RET (0.68) LMNATP53RETTSHRALOX12
SCHEMBL28558724 0.80 MAPK14 (0.62) PTGS2LMNATP53RETTSHR
SCHEMBL6979358 0.79 PTGS2 (0.67) PTGS2RETALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed