SCHEMBL28158596

SCHEMBL28158596

CNC1=Cc2cc3ccccc3cc2C(=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
GAPDH P04406 1/20 0.35
PTGS2 P35354 1/20 0.33
MAOA P21397 2/20 0.33
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 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
SCHEMBL11483329 0.80 NPC1 (0.33) GAPDHRAB9AMAPTNPC1MEN1
SCHEMBL18450874 0.80 MAPT (0.50) L3MBTL1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL9473429 0.77 CDC25A (0.42) GAPDHPTGS2MAOARAB9ASMN1; SMN2
SCHEMBL2974052 0.75 HKDC1 (0.55) L3MBTL1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8895903 0.75 PTPRC (0.33) ALDH1A1TP53HSD17B10MAPK1CES1
SCHEMBL2059539 0.73 ALDH1A1 (0.38) L3MBTL1GAPDHMAOARAB9ASMN1; SMN2
SCHEMBL3132658 0.73 MEN1 (0.34) L3MBTL1GAPDHPTGS2MAOARAB9A
SCHEMBL227263 0.73 SLC2A1 (0.39) GAPDHPTGS2MAOARAB9ASMN1; SMN2
SCHEMBL30805652 0.73 GSTP1 (0.38) GAPDHPTGS2MAOARAB9ASMN1; SMN2
SCHEMBL10595579 0.72 CYP1A2 (0.36) L3MBTL1GAPDHPTGS2MAOARAB9A

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-106800795-A A kind of synthetic method of solvent blue 19 02 江苏道博化工有限公司 2017-06-06 CN disclosed