SCHEMBL4252928

SCHEMBL4252928

[c]1cccc(-c2cccs2)c1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
GAA P10253 3/20 0.48
GLA P06280 2/20 0.48
HCRTR1 O43613 1/20 0.48
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
TP53 P04637 2/20 0.46
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL7465327 0.88 NPC1 (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL3363096 0.81 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDGLA
SCHEMBL3176511 0.79 LTA4H (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL5516669 0.78 NPC1 (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL12004262 0.77 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL10823971 0.77 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL7569351 0.76 TGFBR1 (0.45) KDM4ESMN1; SMN2ALDH1A1HPGDGLA
Bromide SCHEMBL12003693 0.76 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL31500784 0.75 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL30596386 0.75 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDGAA

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-1648462-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-08 EP claimed
JP-2007535477-A 2007-12-06 JP claimed
EP-1648462-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-04-26 EP claimed
WO-2005009440-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-02-03 WO claimed