SCHEMBL18952014

SCHEMBL18952014

N=C(NC(=O)O)c1ccc(Cn2ccc3cnccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 8/20 0.44
KDR P35968 8/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
PLAU P00749 2/20 0.43
PLG P00747 1/20 0.43
MAOB P27338 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL18960794 0.84 FLT1 (0.42) FLT1KDRHDAC8HDAC6HDAC1
SCHEMBL18967486 0.82 FLT1 (0.47) FLT1KDRHDAC8HDAC6HDAC1
SCHEMBL18952040 0.81 KDR (0.41) FLT1KDRMAOB
SCHEMBL18952053 0.81 KDR (0.41) FLT1KDRMAOB
SCHEMBL18939141 0.81 FLT1 (0.54) FLT1KDRMAOB
SCHEMBL18951992 0.80 KDR (0.45) FLT1KDRPLAUMAOB
SCHEMBL18939136 0.80 PLAU (0.67) FLT1KDRHDAC8HDAC6HDAC1
SCHEMBL18952046 0.80 PLAU (0.49) FLT1KDRHDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL18939038 0.79 PLAU (0.48) FLT1KDRHDAC8HDAC6HDAC1
SCHEMBL30167818 0.76 FLT1 (0.64) FLT1KDRHDAC8HDAC6HDAC1

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
US-RE48097-E1 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS ULC (CA) 2020-07-14 US 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