SCHEMBL21588674

SCHEMBL21588674

CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
POLB P06746 2/20 0.63
NPC1 O15118 9/20 0.60
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 2/20 0.58
MIF P14174 1/20 0.55
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL21588737 0.86 MAPT (0.63) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13956744 0.82 ALDH1A1 (0.72) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14096078 0.81 MAPT (0.81) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12316694 0.81 MAPT (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14096079 0.81 MAPT (0.78) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2345780 0.80 EPHX1 (0.68) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13166709 0.80 MAPT (0.77) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28662121 0.80 SIRT1 (0.68) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14096080 0.80 MAPT (0.76) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9133486 0.79 NPC1 (0.65) ALDH1A1MEN1KMT2ANPC1RAB9A

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
WO-2019233474-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2019-12-12 WO disclosed