SCHEMBL9016652

SCHEMBL9016652

CC(=O)c1cc2c(cc1Br)OCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KLK7 P49862 1/20 0.51
KDM4E B2RXH2 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 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
SCHEMBL30617194 0.82 SMN1; SMN2 (0.73) SMN1; SMN2KLK7KDM4ENPSR1ALDH1A1
SCHEMBL7216296 0.82 SMN1; SMN2 (0.73) SMN1; SMN2KLK7KDM4ENPSR1ALDH1A1
SCHEMBL13518623 0.82 MEN1 (0.55) SMN1; SMN2KLK7KDM4ENPSR1ALDH1A1
SCHEMBL11832759 0.81 SMN1; SMN2 (0.51) SMN1; SMN2KLK7KDM4EALDH1A1HPGD
SCHEMBL17782662 0.80 KDM4E (0.53) SMN1; SMN2KLK7KDM4EALDH1A1HPGD
SCHEMBL11695496 0.78 ALDH1A1 (0.55) SMN1; SMN2KDM4ENPSR1ALDH1A1HPGD
SCHEMBL773047 0.78 KDM4E (0.51) SMN1; SMN2KDM4ENPSR1ALDH1A1HPGD
SCHEMBL31181394 0.77 ALDH1A1 (0.55) SMN1; SMN2KDM4ENPSR1ALDH1A1HPGD
SCHEMBL209949 0.77 ALDH1A1 (0.53) SMN1; SMN2KDM4ENPSR1ALDH1A1HPGD
SCHEMBL30014749 0.77 ALDH1A1 (0.53) SMN1; SMN2KDM4ENPSR1ALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed