SCHEMBL11059973

SCHEMBL11059973

O=C(NC(=O)c1ccccc1)Nc1nccs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.77
NPC1 O15118 6/20 0.77
SCD O00767 1/20 0.69
AURKA O14965 1/20 0.66
PIM1 P11309 1/20 0.66
CDK2 P24941 1/20 0.66
GSK3B P49841 1/20 0.66
KCNK3 O14649 1/20 0.63
KCNK9 Q9NPC2 1/20 0.63
POLB P06746 1/20 0.59
HSPA5 P11021 1/20 0.59
HSPA9 P38646 1/20 0.59
CYP1A2 P05177 1/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57

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
SCHEMBL995829 0.87 NPC1 (1.00) RAB9ANPC1SCDAURKAPIM1
Hydrochloric Acid SCHEMBL27594584 0.86 NPC1 (0.97) RAB9ANPC1SCDAURKAPIM1
SCHEMBL14096340 0.85 NPC1 (0.73) RAB9ANPC1SCDKCNK3KCNK9
SCHEMBL26854309 0.85 NPC1 (0.73) RAB9ANPC1SCDAURKAPIM1
SCHEMBL23069040 0.83 AURKA (0.88) RAB9ANPC1SCDAURKAPIM1
SCHEMBL16562033 0.82 SCD (1.00) RAB9ANPC1SCDKCNK3KCNK9
SCHEMBL4285954 0.81 NPC1 (0.85) RAB9ANPC1SCDAURKAPIM1
SCHEMBL4600722 0.80 AURKA (1.00) RAB9ANPC1SCDAURKAPIM1
SCHEMBL6713640 0.78 NPC1 (0.71) RAB9ANPC1SCDAURKAPIM1
SCHEMBL4600878 0.77 NPC1 (0.73) RAB9ANPC1SCDAURKAPIM1

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-4521426-A Pesticidal bicyclooxyheterocyclyl aroyl ureas UNION CARBIDE CORPORATION (US) 1985-06-04 US disclosed