SCHEMBL4432434

SCHEMBL4432434

CC(=O)Nc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
PKM P14618 2/20 0.51
RAB9A P51151 2/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ESRRA P11474 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50

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
SCHEMBL11690501 0.85 KMT2A (0.50) KMT2AHTTSMN1; SMN2LMNANPC1
SCHEMBL11818997 0.80 KMT2A (0.45) KMT2AHTTSMN1; SMN2LMNANPC1
SCHEMBL5598667 0.80 RAB9A (0.58) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL22874621 0.79 PDE10A (0.52) KMT2ASMN1; SMN2NPC1PKMRAB9A
SCHEMBL171438 0.79 HPGD (0.71) KMT2ASMN1; SMN2MEN1ALDH1A1NPC1
SCHEMBL22967375 0.78 PDE10A (0.49) KMT2ASMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL11195190 0.78 RAB9A (0.61) KMT2AHTTSMN1; SMN2MEN1LMNA
SCHEMBL6516221 0.78 KMT2A (0.73) KMT2AHTTSMN1; SMN2MEN1LMNA
SCHEMBL11143982 0.78 PTGS2 (0.57) KMT2ASMN1; SMN2MEN1LMNACYP1A2
SCHEMBL693025 0.77 MAPT (0.62) KMT2ASMN1; SMN2MEN1LMNATDP1

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-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
WO-1994012179-A1 INDOLE CARBOXYLATE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed
US-5288743-A Lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1994-02-22 US disclosed