SCHEMBL18952009

SCHEMBL18952009

O=CNc1ccc(Cn2ccc3cnccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.48
FLT1 P17948 11/20 0.48
MAOB P27338 2/20 0.45
KMT2A Q03164 1/20 0.39
HTR6 P50406 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL28658614 0.77 KDR (0.46) KDRFLT1MAOBKMT2AHTR6
SCHEMBL26703942 0.77 HTR6 (0.58) KDRFLT1KMT2AHTR6
SCHEMBL18967932 0.77 FLT1 (0.52) KDRFLT1MAOBHTR6
SCHEMBL18939101 0.77 CYP11B1 (0.52)
SCHEMBL18939141 0.77 FLT1 (0.54) KDRFLT1MAOB
SCHEMBL18952010 0.76 CYP3A4 (0.41) KDRFLT1MAOBKMT2AHTR6
SCHEMBL30167818 0.76 FLT1 (0.64) KDRFLT1MAOBHDAC1HDAC2
SCHEMBL30167809 0.76 LIMK2 (0.49) KDRFLT1KMT2AHTR6
SCHEMBL30167767 0.73 HTR6 (0.45) KDRFLT1KMT2AHTR6
SCHEMBL18967486 0.73 FLT1 (0.47) KDRFLT1MAOBHDAC1HDAC2

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
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