SCHEMBL6019028

SCHEMBL6019028

CC(=O)Nc1c([N+](=O)[O-])cc(Br)c(C(C)=O)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
MAPT P10636 3/20 0.42
BRD4 O60885 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 1/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38

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
SCHEMBL1942713 0.81 CYP19A1 (0.57) CYP19A1CTSVCTSLMAPTBRD4
SCHEMBL28534643 0.77 CYP19A1 (0.57) CYP19A1CTSVCTSLMAPTBRD4
SCHEMBL28516089 0.75 CYP19A1 (0.55) CYP19A1CTSVCTSLMAPTBRD4
SCHEMBL3271704 0.74 CYP19A1 (0.54) CYP19A1CTSVCTSLMAPTBRD4
SCHEMBL30163675 0.74 CYP19A1 (0.54) CYP19A1CTSVCTSLMAPTBRD4
SCHEMBL1137447 0.74 CYP19A1 (0.59) CYP19A1CTSVCTSLMAPTBRD4
SCHEMBL20536414 0.72 MAPT (0.42) CYP19A1MAPTBRD4MEN1KMT2A
SCHEMBL6839572 0.71 KCNJ11 (0.53) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL30064935 0.71 KCNJ11 (0.53) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5579678 0.71 CYP19A1 (0.53) CYP19A1MAPTBRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed