SCHEMBL11588151

SCHEMBL11588151

O=C(Nc1ccccc1O)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
RAB9A P51151 3/20 0.66
TP53 P04637 2/20 0.66
TOP1 P11387 2/20 0.62
TOP2A P11388 1/20 0.62
TOP2B Q02880 1/20 0.62
HSD17B13 Q7Z5P4 1/20 0.55
GAA P10253 4/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
KCNMA1 Q12791 2/20 0.54
ALDH1A1 P00352 3/20 0.54
TERT O14746 1/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51

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
SCHEMBL11589239 0.90 NPC1 (0.57) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL11589478 0.88 MEN1 (0.56) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL11588066 0.87 MEN1 (0.62) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL11590512 0.85 NPC1 (0.69) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL25349072 0.84 RAB9A (0.64) NPC1MEN1KMT2ARAB9ATOP1
SCHEMBL28463141 0.84 TP53 (0.65) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL11588005 0.83 TAS1R3 (0.75) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL11588024 0.82 HSD17B13 (0.48) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL3864321 0.81 TOP1 (0.62) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL11587889 0.80 TOP1 (0.62) NPC1MEN1KMT2ARAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4091097-A A 2'-HYDROXY-3-CARBOXY-4,5-SUBSTITUTED-BENZANILIDE, ITS ESTERS AND SALTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1978-05-23 US disclosed
US-4024253-A BENZANILIDE DERIVATIVES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1977-05-17 US disclosed