SCHEMBL28043101

SCHEMBL28043101

CCOC(=O)c1c(C)[nH]c(-c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
PRKCZ Q05513 1/20 0.42
BRD4 O60885 4/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ELANE P08246 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
LMNA P02545 2/20 0.41
BLM P54132 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
THRB P10828 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
Hydrochloric Acid SCHEMBL16008025 0.99 AR (0.46) ARMAPTALDH1A1MAPK1PRKCZ
SCHEMBL28043446 0.84 NPC1 (0.51) MAPTBRD4MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL16008341 0.83 MAPT (0.50) MAPTALDH1A1BRD4MEN1KMT2A
SCHEMBL28873495 0.74 SMN1; SMN2 (0.56) ARMAPTALDH1A1MAPK1MEN1
SCHEMBL16042754 0.72 BRD4 (0.71) MAPTALDH1A1MAPK1BRD4MEN1
Hydrochloric Acid SCHEMBL11463651 0.71 MAPT (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL15069474 0.71 BRD4 (0.76) BRD4
SCHEMBL16007874 0.70 SMN1; SMN2 (0.51) MAPTALDH1A1BRD4MEN1KMT2A
SCHEMBL15069331 0.70 BRD4 (0.77) BRD4ELANE
SCHEMBL15328848 0.69 BRD4 (0.72) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164127-A Bromodomain inhibitors ABBVIE INC 2015-12-16 CN disclosed