SCHEMBL17019882

SCHEMBL17019882

CC(C)(C)C1CN(C(=O)COc2ccc(-n3cnnn3)cc2)CCN1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
BLM P54132 1/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
ESR1 P03372 1/20 0.45
CPT2 P23786 1/20 0.44
CPT1A P50416 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
ATF4 P18848 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10080587 0.79 USP2 (0.66) USP2MAPK1POLBTDP1BLM
SCHEMBL10080588 0.78 USP2 (0.74) USP2MAPK1POLBTDP1BLM
SCHEMBL10064243 0.77 USP2 (0.72) USP2MAPK1POLBTDP1BLM
SCHEMBL12943736 0.75 USP2 (0.69) USP2MAPK1POLBTDP1BLM
Hydrochloric Acid SCHEMBL17019883 0.74 USP2 (0.68) USP2MAPK1POLBTDP1BLM
SCHEMBL943950 0.73 PKM (0.66) USP2MAPK1POLBTDP1BLM
SCHEMBL17019881 0.72 POLB (0.78) USP2MAPK1POLBTDP1BLM
SCHEMBL15511292 0.69 POLB (0.49) USP2MAPK1POLBTDP1BLM
SCHEMBL15511290 0.69 POLB (0.49) USP2MAPK1POLBTDP1BLM
SCHEMBL9951224 0.69 USP2 (0.75) USP2MAPK1POLBTDP1BLM

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-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed