SCHEMBL27623657

SCHEMBL27623657

CC(C)(C)C(=O)ON1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 6/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL27974004 0.85
SCHEMBL28016518 0.81 EPHX2 (0.36) TP53TSHRSMN1; SMN2
SCHEMBL27701075 0.76 CNR2 (0.33) TP53ALDH1A1ATM
SCHEMBL27932514 0.76 CYP1A2 (0.38) ALDH1A1KDM4EHTTLMNATDP1
SCHEMBL27596966 0.76 CTSK (0.35) SMN1; SMN2
SCHEMBL8431323 0.76 HPGD (0.33) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL27849882 0.75 GNAI3 (0.30)
SCHEMBL8433485 0.74 HPGD (0.36) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL27758892 0.74 HPGD (0.36) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL28060488 0.73 CYP1A2 (0.45) ALDH1A1SMN1; SMN2KDM4ETDP1KMT2A

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-1738814-A Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP (US) 2006-02-22 CN disclosed