SCHEMBL11072041

SCHEMBL11072041

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
FAAH O00519 2/20 0.60
KDM4E B2RXH2 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPK1 P28482 3/20 0.58
LMNA P02545 2/20 0.58
ATM Q13315 1/20 0.54

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 0.89 RAB9A (0.66) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11067938 0.87 RAB9A (0.64) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11068460 0.86 RAB9A (0.69) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11075592 0.85 RAB9A (0.70) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11068190 0.85 MEN1 (0.62) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11071557 0.83 RAB9A (0.60) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL18674602 0.81 RAB9A (0.75) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3761593 0.81 RAB9A (0.74) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11068640 0.81 RAB9A (0.78) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11071836 0.80 RAB9A (1.00) RAB9ANPC1MEN1KMT2AALDH1A1

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