SCHEMBL7490632

SCHEMBL7490632

CCCC[Sn](CCCC)(CCCC)c1c(C)nn(S(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7495596 0.70 MAPK1 (0.63) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL14777735 0.68 KDM4E (0.33)
SCHEMBL7489361 0.68 GRM4 (0.39) KMT2ASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL2673470 0.65 PIK3C3 (0.43) KMT2AALDH1A1LMNAHTTMEN1
SCHEMBL7243871 0.64 CA12 (0.44) KMT2ASMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL11645949 0.63 SLC9A1 (0.41) KMT2APOLBMEN1L3MBTL1TDP1
SCHEMBL15742051 0.61 ABCB1 (0.39) KMT2ASMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL11699453 0.60 PSIP1 (0.53) SMN1; SMN2POLBALDH1A1HTTTP53
SCHEMBL29493433 0.60 KMT2A (0.49) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL11644146 0.60 SLC9A1 (0.44) KMT2ASMN1; SMN2POLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783499-B1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2002-10-23 EP disclosed
US-5935972-A Benzofuran derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 1999-08-10 US disclosed
EP-0783499-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1997-07-16 EP disclosed
WO-1995006645-A1 BENZOFURAN DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 1995-03-09 WO disclosed