SCHEMBL11568558

SCHEMBL11568558

COc1ccc(NC(=O)c2ccc3ccccc3c2)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
LMNA P02545 2/20 0.69
AHR P35869 1/20 0.69
CYP1A1 P04798 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP1B1 Q16678 1/20 0.68
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 2/20 0.66
TAS1R3 Q7RTX0 1/20 0.64
TAS1R1 Q7RTX1 1/20 0.64
TAS1R2 Q8TE23 1/20 0.64
MAPT P10636 4/20 0.63
HPGD P15428 1/20 0.63
TP53 P04637 1/20 0.62

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
SCHEMBL11449776 0.89 TP53 (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12368121 0.87 SIRT2 (0.76) MEN1KMT2ANPC1RAB9AAHR
SCHEMBL31680510 0.87 SMN1; SMN2 (0.88) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8820811 0.86 SMN1; SMN2 (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL24711273 0.86 LMNA (0.86) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL26066510 0.84 NPC1 (0.70) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL95016 0.81 SMN1; SMN2 (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4868856 0.81 SMN1; SMN2 (0.77) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3018240 0.81 MAPT (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3788361 0.80 NPC1 (1.00) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-4153598-A Monoazo and diazo colorants from aminoalkylanilines and bis(aminoalkyl)anilines STERLING DRUG INC. (US) 1979-05-08 US disclosed