SCHEMBL18952010

SCHEMBL18952010

O=C=Nc1ccc(Cn2ccc3cnccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
KDR P35968 11/20 0.41
FLT1 P17948 10/20 0.41
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.38
HTR6 P50406 2/20 0.38
SLC22A12 Q96S37 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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) KDRFLT1KMT2AMAOBHTR6
SCHEMBL26703942 0.77 HTR6 (0.58) KDRFLT1KMT2AHTR6KDM4C
SCHEMBL18939101 0.77 CYP11B1 (0.52)
SCHEMBL18952009 0.76 KDR (0.48) KDRFLT1KMT2AMAOBHTR6
SCHEMBL30167767 0.73 HTR6 (0.45) KDRFLT1KMT2AHTR6KDM4C
SCHEMBL18939136 0.72 PLAU (0.67) KDRFLT1KMT2AHTR6HDAC1
SCHEMBL28927893 0.71 FLT1 (0.40) KDRFLT1MAOBHTR6SLC22A12
SCHEMBL30167726 0.71 NAMPT (0.45) KDRFLT1KMT2AHTR6
SCHEMBL3434482 0.70 LMNA (0.55) CYP3A4TSHRKMT2A
SCHEMBL18952014 0.69 FLT1 (0.44) 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