SCHEMBL8897725

SCHEMBL8897725

CCOC(=O)c1ccc(N(C)C)cc1NC(=O)Nc1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
GRIK1 P39086 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 3/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL7339913 0.94 SMN1; SMN2 (0.47) TSHRSMN1; SMN2GAARECQLKDM4E
SCHEMBL7333761 0.87 GAA (0.42) TSHRSMN1; SMN2GAARECQLKDM4E
SCHEMBL7331383 0.84 KDM4E (0.62) TSHRSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6577045 0.78 RAB9A (0.52) TSHRSMN1; SMN2GAARECQLKDM4E
SCHEMBL11669735 0.73 TSHR (0.56) TSHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7331180 0.70 GAA (0.63) TSHRGAAKDM4EALDH1A1HPGD
SCHEMBL28166988 0.70 ALDH1A1 (0.50) TSHRSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL2090928 0.70 ALDH1A1 (0.62) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL4440051 0.69 ALDH1A1 (0.57) TSHRSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL11669017 0.69 TSHR (0.51) TSHRSMN1; SMN2KDM4EALDH1A1MAPT

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-5652237-A 2-substituted-4H-3, 1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease for the treatment of inflammatory processes WARNER-LAMBERT COMPANY (US) 1997-07-29 US disclosed