SCHEMBL11451644

SCHEMBL11451644

[N-]=[N+]=C1C=C(Cl)C(N2CCOCC2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
STAT3 P40763 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
NOD2 Q9HC29 1/20 0.32

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
SCHEMBL11335636 0.78 MAPT (0.35) MAPTHTTSMN1; SMN2TP53STAT3
SCHEMBL3373305 0.69 LMNA (0.32) MAPTHTTCYP1A2KMT2ALMNA
SCHEMBL11127445 0.69 GAA (0.31) MAPTSMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL11127443 0.68 LMNA (0.32) LMNA
Hydrochloric Acid SCHEMBL9499855 0.67 LMNA (0.31) LMNA
SCHEMBL5170761 0.65 MAPT (0.37) MAPTHTTSMN1; SMN2TP53STAT3
SCHEMBL10654038 0.65
SCHEMBL3373377 0.62
SCHEMBL11140451 0.62 SMN1; SMN2 (0.39) MAPTHTTSMN1; SMN2TP53CYP1A2
SCHEMBL10435911 0.61 MAPT (0.36) MAPTHTTSMN1; SMN2TP53STAT3

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-4225662-A 5-(ACETOACETAMIDO)BENZIMIDAZOLIN-2-ONE YELLOW COUPLERS RICOH COMPANY, LTD. (JP) 1980-09-30 US disclosed