SCHEMBL28053330

SCHEMBL28053330

Cc1cc(C)cc(N(C(N)=S)c2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 7/20 0.37
HCRTR2 O43614 1/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL28374320 0.82 MAPT (0.48) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL7982074 0.80 TSPO (0.44) RAB9ANPC1ALOX12ALDH1A1NPSR1
SCHEMBL11620656 0.72 NPSR1 (0.42) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL11117629 0.70 HTT (0.41) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL13338594 0.70 ALDH1A1 (0.42) RAB9ANPC1ALOX12ALDH1A1NPSR1
SCHEMBL28966865 0.70 KDM4E (0.39) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL845316 0.70 NPC1 (0.40) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL4298743 0.69 HTT (0.46) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL7985644 0.69 TRPM8 (0.42) RAB9ANPC1ALDH1A1NPSR1HTT
SCHEMBL9585217 0.68 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1NPSR1HTT

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
CN-102471300-B Compositions and methods for enhancing viral potency OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2016-04-13 CN disclosed