SCHEMBL10760985

SCHEMBL10760985

N#Cc1ccc(N2C(=O)c3ccc(C(O)c4ccccc4)cc3C2=O)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
SCN2A Q99250 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
PIM3 Q86V86 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 1/20 0.37
ESR2 Q92731 2/20 0.37
PTGER4 P35408 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL6689272 0.80 MEN1 (0.53) MEN1KMT2ASCN2AALDH1A1MAPK1
SCHEMBL10340789 0.77 PGR (0.45) ALDH1A1MAPK1LMNAHPGDSMN1; SMN2
SCHEMBL10754949 0.77 APEX1 (0.50) MEN1KMT2ANPSR1SCN2AALDH1A1
SCHEMBL10753101 0.75 NPSR1 (0.49) ESR1MEN1KMT2ANPSR1SCN2A
SCHEMBL5574945 0.74 POLB (0.49) ESR1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL18215026 0.70 POLB (0.41) ESR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL31513527 0.70 NPC1 (0.44) ESR1MEN1KMT2AALDH1A1MAPK1
SCHEMBL25575134 0.70 MEN1 (0.45) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL10340781 0.69 CYP1A2 (0.39) ALDH1A1MAPK1TSHRUSP8USP7
SCHEMBL17995366 0.69 POLB (0.42) ESR1MEN1KMT2ANPSR1ALDH1A1

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-4645821-A Precursor of copolyphthalocyanine-imide lattice, preparation, and the resultant lattice CENTRE D'ETUDE DES MATERIAUX ORGANIQUES POUR TECHNOLOGIES AVANCEES (FR) 1987-02-24 US disclosed