SCHEMBL18952013

SCHEMBL18952013

NC(=Nc1ccccc1)c1csc(Cn2ccc3cnccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.37
FLT1 P17948 10/20 0.37
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS1 P29475 3/20 0.35
P2RX7 Q99572 1/20 0.35
NOS3 P29474 2/20 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
SCHEMBL18951966 0.84 KDR (0.33) KDRFLT1NOS1P2RX7NOS3
SCHEMBL18939153 0.82 PLAU (0.44) KDRFLT1
SCHEMBL18977668 0.82 KDR (0.37) KDRFLT1HTR6
Hydrochloric Acid SCHEMBL28648113 0.81 KDR (0.41) KDRFLT1
SCHEMBL18939406 0.78 KDR (0.45) KDRFLT1HTR6P2RX7
SCHEMBL18977806 0.77 KDR (0.39) KDRFLT1HTR6P2RX7
SCHEMBL18960801 0.74 KDR (0.39) KDRFLT1
SCHEMBL18952040 0.74 KDR (0.41) KDRFLT1HTR6
Hydrochloric Acid SCHEMBL18939070 0.74 KDR (0.39) KDRFLT1
SCHEMBL18939006 0.74 PLAU (0.42) HTR6

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
CN-108463461-B Cephem compounds, their preparation and use 奈加-RGM制药有限公司 2021-11-19 CN disclosed
EP-3386977-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM Pharmaceuticals ULC (CA) 2018-10-17 EP disclosed
WO-2017096472-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-06-15 WO disclosed