SCHEMBL18977913

SCHEMBL18977913

Cc1cc(F)c(Cn2ccc3ncccc32)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NR3C1 P04150 2/20 0.43
NR3C2 P08235 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN1 Q05586 1/20 0.40
KCNH2 Q12809 1/20 0.40
RPS6KA5 O75582 6/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MET P08581 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18939091 0.82 RPS6KA5 (0.41) GRIN2BCYP1A2CYP2C9CYP2C19GRIN1
SCHEMBL18960813 0.81 SLC22A12 (0.38) GRIN2BNR3C1NR3C2CYP1A2CYP2C9
SCHEMBL18939015 0.81 PLAU (0.41) GRIN2BNR3C1NR3C2RPS6KA5MET
Hydrochloric Acid SCHEMBL18938985 0.80 SLC22A12 (0.37) GRIN2BNR3C1NR3C2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL18939169 0.80 SLC22A12 (0.45) GRIN2BRPS6KA5METSLC22A12
SCHEMBL18939149 0.78 MET (0.40) GRIN2BMEN1MAPK1KMT2ANR3C1
SCHEMBL28662877 0.76 CYP19A1 (0.43) GRIN2BNR3C1RAPGEF4SLC22A12
SCHEMBL28651087 0.76 KDR (0.51) GRIN2BCYP1A2CYP2C9RAPGEF4SLC22A12
SCHEMBL18967497 0.75 SLC22A12 (0.36) GRIN2BMEN1KMT2ARPS6KA5MET
SCHEMBL18967605 0.74 HDAC10 (0.39) MAPK1NR3C1NR3C2SLC22A12PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108463461-B Cephem compounds, their preparation and use 奈加-RGM制药有限公司 2021-11-19 CN disclosed
WO-2017096472-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-06-15 WO disclosed