SCHEMBL11415345

SCHEMBL11415345

CC(C)Nc1ccc(NC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
GAA P10253 3/20 0.49
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
APAF1 O14727 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL78145 0.85 MAPT (0.61) LMNAMAPTPOLBGAATDP1
SCHEMBL11526941 0.85 MAPT (0.61) LMNAMAPTPOLBGAATDP1
SCHEMBL3400048 0.85 MAPT (0.61) LMNAMAPTPOLBGAATDP1
SCHEMBL11526739 0.82 MAPT (0.63) LMNAMAPTPOLBGAATDP1
SCHEMBL12160707 0.82 SMN1; SMN2 (0.59) LMNAMAPTPOLBGAAALDH1A1
SCHEMBL12074647 0.80 SMN1; SMN2 (0.57) LMNAMAPTPOLBGAAALDH1A1
SCHEMBL18609347 0.79 LMNA (0.45) LMNAMAPTPOLBGAATDP1
SCHEMBL24016961 0.79 RAB9A (0.59) LMNAMAPTPOLBGAATDP1
SCHEMBL169760 0.79 RAB9A (0.59) LMNAMAPTPOLBGAATDP1
SCHEMBL7794044 0.79 RAB9A (0.59) LMNAMAPTPOLBGAATDP1

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-4210602-A REDUCTIVE ALKYLATION OF PARA-NITROSO-DIPHENYLHYDROXYLAMINE AKZONA INCORPORATED (US) 1980-07-01 US disclosed