SCHEMBL9320748

SCHEMBL9320748

NC1C=CC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
CDC25B P30305 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
AKT1 P31749 1/20 0.46
SNCA P37840 1/20 0.46
MAP2K1 Q02750 1/20 0.46
PIN1 Q13526 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
NSD1 Q96L73 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL12985950 0.75 ALDH1A1 (0.34) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL7782767 0.75 HTR2A (0.34) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL16047150 0.75 IDO1 (0.46) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL8527962 0.72 IDO1 (0.43) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL11593035 0.71 IDO1 (0.38) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL6064757 0.71 CDC25B (0.41) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL10601750 0.71 EDNRA (0.44) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL5100239 0.69 IDO1 (0.40) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL17044669 0.69 IDO1 (0.40) IDO1CDC25BMAOAMAOBAKT1
SCHEMBL11590902 0.69 IDO1 (0.40) IDO1CDC25BMAOAMAOBAKT1

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
EP-0359519-B1 A process for producing carbamic acid esters BABCOCK HITACHI KK (JP) 1994-02-02 EP disclosed
US-5101062-A Reacting an amine, oxygen, a nitro compound, carbon monoxide, and alcohol in the presence of a transition metal catalyst, non-metal halide and water BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed
EP-0359519-A1 A process for producing carbamic acid esters BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1990-03-21 EP disclosed