SCHEMBL28784153

SCHEMBL28784153

CC(c1ccccc1)n1ccn(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MET P08581 5/20 0.43
CYP2D6 P10635 1/20 0.42
MC4R P32245 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
CREBBP Q92793 1/20 0.39
GABRA1 P14867 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
SCHEMBL27993777 1.00 BRD4 (0.48) BRD4MEN1KMT2AHPGDHSD17B10
SCHEMBL27784187 0.75 VEGFA (0.43) MEN1KMT2AHPGDHSD17B10CYP2D6
SCHEMBL27994026 0.75 VEGFA (0.43) MEN1KMT2AHPGDHSD17B10CYP2D6
SCHEMBL6736338 0.73 LPO (0.32)
SCHEMBL17319348 0.73 CYP2D6 (0.45) BRD4MEN1KMT2AHPGDHSD17B10
SCHEMBL8151923 0.72 MEN1 (0.50) BRD4MEN1KMT2AHPGDHSD17B10
Carbon Monoxide SCHEMBL8145637 0.72 MEN1 (0.46) BRD4MEN1KMT2AHPGDHSD17B10
SCHEMBL16118506 0.69 MET (0.42) BRD4MEN1KMT2AHPGDHSD17B10
SCHEMBL28861190 0.69 BRD4 (0.47) BRD4MEN1KMT2AHPGDHSD17B10
SCHEMBL27784194 0.69 MET (0.49) BRD4MEN1KMT2AHPGDHSD17B10

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
CN-102993204-A Certain chemical entities, compositions and methods CYTOKINETICS INC 2013-03-27 CN claimed
CN-101522681-A Specific chemical entities, compositions and methods CYTOKINETICS INC (US) 2009-09-02 CN claimed
CN-102993204-A Certain chemical entities, compositions and methods CYTOKINETICS INC 2013-03-27 CN disclosed
CN-101522681-A Specific chemical entities, compositions and methods CYTOKINETICS INC (US) 2009-09-02 CN disclosed