SCHEMBL11075592

SCHEMBL11075592

CNC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
NPC1 O15118 2/20 0.70
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
FAAH O00519 3/20 0.66
HSD17B10 Q99714 2/20 0.65
MAPK1 P28482 4/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
AR P10275 3/20 0.59

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
SCHEMBL11076858 0.87 RAB9A (0.66) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11068460 0.87 RAB9A (0.69) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18674602 0.86 RAB9A (0.75) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3761593 0.85 RAB9A (0.74) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11072041 0.85 RAB9A (0.67) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11067938 0.85 RAB9A (0.64) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3766124 0.84 MAPT (0.66) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3764162 0.83 FAAH (0.66) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11064658 0.83 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11068190 0.83 MEN1 (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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-4476128-A ANTIARTHRITIC AGENTS ANTIBODY INHIBITORS MITSUITOATSU CHEMICALS, INC. (JP) 1984-10-09 US disclosed