SCHEMBL21471952

SCHEMBL21471952

Cc1ccc(-c2nc3ccccc3s2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
APP P05067 5/20 0.57
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 3/20 0.57
GLA P06280 2/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56
PAX8 Q06710 1/20 0.56
NOD2 Q9HC29 1/20 0.56
TNF P01375 1/20 0.56
NOD1 Q9Y239 1/20 0.56

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
SCHEMBL7208787 0.83 RAB9A (0.71) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL10045325 0.81 RAB9A (0.68) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL4639944 0.81 RAB9A (1.00) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL14268621 0.81 RAB9A (0.68) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL366824 0.80 RAB9A (0.81) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL29474819 0.80 RAB9A (0.81) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL2055238 0.80 APP (0.67) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL5184949 0.80 RAB9A (0.64) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL1105447 0.80 APP (0.69) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL13533811 0.79 PIK3CD (0.62) RAB9ANPC1APPKDM4EGLA

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-2019197502-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES KARIN & STEN MORTSTEDT CBD SOLUTIONS AB (SE) 2019-10-17 WO disclosed