SCHEMBL3988488

SCHEMBL3988488

CC(C)(C)c1cc(CC(N)C(=O)Nc2ccccn2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ANPEP P15144 1/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
RECQL P46063 1/20 0.40
SLC7A5 Q01650 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7879302 0.80 ANPEP (0.52) POLBANPEPGAAMEN1KMT2A
SCHEMBL3989338 0.80 MMP1 (0.41) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL9602121 0.78 ANPEP (0.58) POLBANPEPGAAALDH1A1MEN1
SCHEMBL9590000 0.78 ANPEP (0.58) POLBANPEPGAAALDH1A1MEN1
SCHEMBL3991380 0.78 SCN9A (0.36) GAAMEN1KMT2ATDP1MMP1
SCHEMBL13796803 0.78 SCN9A (0.36) GAAMEN1KMT2ATDP1MMP1
SCHEMBL7879201 0.77 DHODH (0.49) POLBANPEPGAAALDH1A1MEN1
SCHEMBL7873337 0.77 KMT2A (0.61) POLBANPEPGAAMEN1KMT2A
SCHEMBL18194421 0.76 ALOX15 (0.51) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL14856009 0.74 SLC7A5 (0.67) POLBALDH1A1MEN1KMT2AKDM4E

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-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed