SCHEMBL3770567

SCHEMBL3770567

CC(=O)N(C)c1ccc(N(CC(Cl)(Cl)Cl)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 7/20 0.40
RAB9A P51151 4/20 0.40
SRD5A1 P18405 4/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
CASP6 P55212 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2726959 0.79 PDK2 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3766395 0.79 CNR2 (0.40) SMN1; SMN2POLBALDH1A1RAB9AHTT
SCHEMBL3770618 0.78 HPGD (0.49) SMN1; SMN2MAPTPOLBHSD17B10ALDH1A1
SCHEMBL14341655 0.74 SMN1; SMN2 (0.61) SMN1; SMN2MAPTPOLBALOX15HSD17B10
SCHEMBL3766336 0.73 MAPT (0.49) SMN1; SMN2MAPTALDH1A1RAB9ALMNA
SCHEMBL8953838 0.71 POLB (0.53) SMN1; SMN2MAPTPOLBALOX15HSD17B10
SCHEMBL1981807 0.70 SMN1; SMN2 (0.53) SMN1; SMN2MAPTPOLBALOX15HSD17B10
SCHEMBL3443031 0.70 PTK2 (0.49) MAPTRAB9ALMNAKMT2AL3MBTL1
SCHEMBL198522 0.69 FSCN1 (0.55) SMN1; SMN2MAPTPOLBALOX15HSD17B10
Hydrochloric Acid SCHEMBL15788995 0.69 MAOA (0.43) MAPTLMNA

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed