SCHEMBL8201820

SCHEMBL8201820

C=C(C)c1ccc(-c2cc(-c3ccc(S(=O)(=O)CCOC)cc3)[nH]n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 1/20 0.43
PRKD1 Q15139 6/20 0.42
ITK Q08881 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
LMNA P02545 2/20 0.36
JAK2 O60674 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8194773 0.88 RAB9A (0.40) RAB9ANPC1MAPTMAPK1PRKD1
SCHEMBL8195766 0.86 CA2 (0.40) RAB9ANPC1MAPTMAPK1PRKD1
SCHEMBL8199102 0.77 ALDH1A1 (0.36) RAB9ANPC1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8202139 0.77 MAPT (0.44) RAB9ANPC1MAPTMAPK1PRKD1
SCHEMBL8196171 0.75 ALDH1A1 (0.35) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL12243101 0.74 CYP2D6 (0.59) RAB9ANPC1MAPTMAPK1
SCHEMBL8197102 0.72 MAPT (0.42) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL12243094 0.71 CYP1A2 (0.55) RAB9ANPC1MAPTMAPK1KDM4E
SCHEMBL8195604 0.71 KDM5A (0.37) MAPT
SCHEMBL8197051 0.71 KMT2A (0.55) RAB9ANPC1MAPTMAPK1MEN1

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-2000066489-A1 SYNTHESIS OF HYDROGEN PEROXIDE UNIVERSITY OF PITTSBURGH (US) 2000-11-09 WO disclosed