SCHEMBL11080819

SCHEMBL11080819

CC(=O)Oc1c(C(=O)Nc2ncc(Cl)cc2Cl)cnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
PTBP1 P26599 3/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.42
NR4A1 P22736 1/20 0.41
KDM4E B2RXH2 3/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TSHR P16473 1/20 0.41

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
Acetic Acid SCHEMBL11080817 0.83 LMNA (0.49) LMNASMN1; SMN2PTBP1MAPTKMT2A
SCHEMBL11081196 0.82 POLB (0.52) LMNAKMT2ANPC1MEN1GAA
SCHEMBL11085958 0.75 CYP3A4 (0.54) LMNASMN1; SMN2MAPTKMT2ANPC1
SCHEMBL11082071 0.74 MAPT (0.58) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL11077482 0.74 CYP3A4 (0.53) LMNASMN1; SMN2MAPTKMT2ANPC1
SCHEMBL11083167 0.73 RXFP1 (0.53) SMN1; SMN2MAPTRXFP1KDR
SCHEMBL11086777 0.71 MEN1 (0.60) LMNASMN1; SMN2MAPTKMT2ANPC1
Ethyl Chloride SCHEMBL29266256 0.70 KDM4E (0.41) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL10352599 0.69 ALDH1A1 (0.54) LMNASMN1; SMN2MAPTKMT2ANPC1
SCHEMBL11075368 0.69 MAPT (0.49) LMNASMN1; SMN2MAPTNPC1RAB9A

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-4450167-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS ROUSSEL UCLAF (FR) 1984-05-22 US disclosed