SCHEMBL6682415

SCHEMBL6682415

N#Cc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 4/20 0.58
ESR1 P03372 1/20 0.55
MLYCD O95822 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
KLKB1 P03952 1/20 0.53
PRSS1 P07477 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL6678076 0.88 KMT2A (0.52) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6677237 0.87 MAPK14 (0.65) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL5897778 0.87 TSHR (0.65) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL23657701 0.86 NPC1 (0.60) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL5897201 0.84 NPC1 (0.59) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL5897360 0.84 PABPC1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2500622 0.83 NPC1 (0.58) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL9337665 0.81 MLYCD (0.76) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6263516 0.81 MLYCD (0.76) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6676821 0.81 ALDH1A1 (0.52) KMT2ANPC1RAB9AALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077930-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-10 EP disclosed
US-6465455-B1 TUMOUR NECROSIS FACTOR AND INTERLEUKIN FAMILY INHIBITORS; INHIBITION OF ENZYME P38 KINASE; INFLAMMATION, IMMUNO-REGULATION, ALLERGIES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed