SCHEMBL10832018

SCHEMBL10832018

COCCCN1C(=O)c2cccc3c(C=O)c(O)cc(c23)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PABPC1 P11940 1/20 0.41
CYP1B1 Q16678 1/20 0.41
RGS12 O14924 2/20 0.40
USP2 O75604 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27074519 0.85 FGFR1 (0.49) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL10832427 0.81 KMT2A (0.50) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7706407 0.77 MAPT (0.51) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL9006265 0.76 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL11481157 0.75 MEN1 (0.52) RXFP1ALDH1A1GAAMEN1KMT2A
SCHEMBL9006276 0.74 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL6275298 0.74 HEXA (0.65) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL579407 0.74 RAB9A (0.40) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL10832015 0.72 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL10719302 0.72 RAB9A (0.67) ALDH1A1MEN1KMT2APOLBMAPT

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
US-4578469-A COUMARIN DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-25 US disclosed