SCHEMBL5624632

SCHEMBL5624632

CCc1cc(C#N)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.56
KCNH2 Q12809 3/20 0.47
TP53 P04637 4/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
MAOB P27338 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL5623362 0.94 SLC2A1 (0.60) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL30601627 0.92 SLC2A1 (0.65) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL5623733 0.92 SLC2A1 (0.58) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL5623473 0.92 SLC2A1 (0.65) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL5627313 0.90 SLC2A1 (0.57) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL5623951 0.89 SLC2A1 (0.69) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL5623917 0.88 SLC2A1 (0.54) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL14419565 0.85 SLC2A1 (0.52) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL5623755 0.85 SLC2A1 (0.53) SLC2A1KCNH2TP53MAPTLMNA
SCHEMBL5623963 0.84 TP53 (0.53) SLC2A1KCNH2TP53MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US claimed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP claimed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP claimed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO claimed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1710238-A1 Benzophenones as inhibitors of reverse transcriptase GLAXO GROUP LIMITED (GB) 2006-10-11 EP disclosed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP disclosed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO disclosed