SCHEMBL6767259

SCHEMBL6767259

CC(C)c1nn(-c2cccc(Cl)c2)c2c1C(=O)CC(C(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
DHODH Q02127 1/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSP90AA1 P07900 1/20 0.35
GFER P55789 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL6769819 0.87 OPRM1 (0.43) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6770441 0.87 SRC (0.41) SRCKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6164547 0.87 DHODH (0.43) DHODHKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6777339 0.87 CASP1 (0.39) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6770751 0.85 OPRM1 (0.45) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6770539 0.84 SRC (0.39) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6772419 0.84 SRC (0.39) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6767785 0.83 L3MBTL1 (0.39) DHODHKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6770490 0.83 ALDH1A1 (0.42) SRCDHODHKMT2AMEN1ALDH1A1
SCHEMBL6769466 0.80 SRC (0.53) SRCKMT2AALDH1A1SMN1; SMN2LMNA

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
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed