SCHEMBL6180773

SCHEMBL6180773

CCN(CC)c1nc(Nc2ccc(Cl)cc2[N+](=O)[O-])nc(N(CC)CC)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
KCNMA1 Q12791 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 2/20 0.41
CFTR P13569 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL6178417 0.86 RAB9A (0.56) RAB9AALDH1A1MAPTKCNMA1CA1
SCHEMBL6180141 0.83 AKR1C3 (0.54) RAB9AL3MBTL1ALDH1A1MAPTTDP1
SCHEMBL6177283 0.82 RAB9A (0.60) RAB9AL3MBTL1ALDH1A1MAPTTDP1
SCHEMBL6178230 0.79 L3MBTL1 (0.60) RAB9AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL6179237 0.78 ALDH1A1 (0.47) RAB9AALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL10952720 0.78 L3MBTL1 (0.63) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL6178936 0.76 L3MBTL1 (0.53) RAB9AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL5149985 0.71 ALDH1A1 (0.67) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL11383159 0.70 L3MBTL1 (0.82) L3MBTL1ALDH1A1NPSR1MAPTTDP1
SCHEMBL1982270 0.69 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPSR1MAPTTDP1

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
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed