SCHEMBL4433186

SCHEMBL4433186

O=C(Nc1ccc(-c2[c]ccc(-c3ccccn3)c2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.57
PTPN1 P18031 3/20 0.54
PTPN2 P17706 1/20 0.54
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
TGFBR1 P36897 1/20 0.47
PABPC1 P11940 1/20 0.46
BCAT2 O15382 1/20 0.46

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
SCHEMBL28596707 0.80 CYP2A6 (0.44) TGFBR1
SCHEMBL18573213 0.79 TRPV1 (0.71) TRPV1PTPN1PTPN2KCNK3KCNK9
SCHEMBL14082180 0.79 TRPV1 (0.75) TRPV1PTPN1PTPN2KCNK3KCNK9
SCHEMBL10592252 0.76 KCNK9 (0.57) PTPN1KCNK3KCNK9
SCHEMBL18573396 0.76 TRPV1 (0.71) TRPV1PTPN1PTPN2KCNK3KCNK9
SCHEMBL11412882 0.75 KMT2A (0.63) PTPN1
SCHEMBL14313610 0.75 TRPV1 (0.72) TRPV1PTPN1PTPN2
SCHEMBL14082181 0.75 TRPV1 (0.76) TRPV1PTPN1PTPN2
SCHEMBL10452121 0.75 TRPV1 (0.76) TRPV1PTPN1PTPN2
SCHEMBL16026593 0.74 KDM4E (0.46)

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-2099442-B1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS INC (US) 2014-11-19 EP disclosed
EP-2626067-A1 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS, INC. (US) 2013-08-14 EP disclosed
EP-2099442-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2009-09-16 EP disclosed
WO-2008082856-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-07-10 WO disclosed