SCHEMBL11174178

SCHEMBL11174178

CNc1ccccc1SC.O=C(O)COc1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 6/20 0.40
KDM4E B2RXH2 3/20 0.40
GLO1 Q04760 1/20 0.40
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
PPARA Q07869 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL11203259 0.84 MAPT (0.41) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL2539650 0.84 MEN1 (0.50) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL11191673 0.82 ALDH1A1 (0.53) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL11181856 0.76 KMT2A (0.53) SMN1; SMN2KMT2AMEN1KDM4EGLO1
SCHEMBL11174179 0.75 ALDH1A1 (0.41) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL9403508 0.72 KMT2A (0.44) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL8707412 0.72 TSHR (0.57) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL8861871 0.71 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL11547369 0.71 RAB9A (0.43) SMN1; SMN2KMT2AMEN1RAB9AKDM4E
SCHEMBL4603121 0.70 ALDH1A1 (0.56) SMN1; SMN2KMT2AMEN1RAB9AKDM4E

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-4384881-A Herbicidally active novel benzazol-2-yloxyacetanilides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-05-24 US claimed