SCHEMBL31223908

SCHEMBL31223908

C=C(C)C(=O)N(C)c1ccc(Br)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.33
GAA P10253 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 2/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL29213689 0.89 NOS3 (0.34) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29213679 0.84 HCRTR1 (0.36) XDHGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL31223892 0.83 CYP1A2 (0.34) XDHALDH1A1CYP1A2CYP2C9HTT
SCHEMBL28702367 0.83 FSCN1 (0.45) XDHGAAALDH1A1MEN1KMT2A
SCHEMBL31223961 0.81 ACACB (0.33) XDH
SCHEMBL31042815 0.81 NPC1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL31289612 0.80 MAPK3 (0.37) XDHGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL31224076 0.80 AR (0.40) SMN1; SMN2CYP1A2CYP2C9
SCHEMBL28356743 0.79 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL28679627 0.79 ALDH1A1 (0.39) GAASMN1; SMN2ALDH1A1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908891-A Preparation method of 4-amino-2-quinolinone compound 浙江广厦建设职业技术大学 2024-11-08 CN disclosed