SCHEMBL11069920

SCHEMBL11069920

ClCCc1nc2c(ccc3ccccc32)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 6/20 0.58
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 3/20 0.46
EGLN1 Q9GZT9 1/20 0.39
PDE10A Q9Y233 1/20 0.38
HTR6 P50406 2/20 0.37
ATM Q13315 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37

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
Hydrochloric Acid SCHEMBL27147314 0.83 RAB9A (0.63) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL1706695 0.80 RAB9A (0.53) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL8956172 0.80 RAB9A (0.60) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL30893646 0.80 RAB9A (0.60) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL23092268 0.80 RAB9A (0.60) RAB9ANPC1ALDH1A1GAAMEN1
Hydrochloric Acid SCHEMBL27152067 0.79 RAB9A (0.62) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL11325966 0.76 RAB9A (0.56) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL7876698 0.76 RAB9A (0.56) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL12066273 0.75 PDE10A (0.66) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL24332825 0.74 RAB9A (1.00) RAB9ANPC1ALDH1A1GAAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4529722-A A 7-ureidoacetamido-7a-methoxy-3-(1-(2-hydroxyethyl)-1H-tetrazol-5 -yl)thiomethyl-1-dethia-1-oxa-3-cephem carboxylic acid derivative SHIONOGI & CO., LTD. (JP) 1985-07-16 US disclosed
EP-0034249-B1 NEW NAPHTHIMIDAZOLE AND NAPHTHOXAZOLE DERIVATIVES, THEIR PREPARATION, AND THEIR USE IN PHARMACEUTICALS GRUPPO LEPETIT S.P.A. (IT) 1984-10-24 EP disclosed
US-4461894-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1984-07-24 US disclosed
US-4360674-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-11-23 US disclosed
EP-0034249-A2 New naphthimidazole and naphthoxazole derivatives, their preparation, and their use in pharmaceuticals GRUPPO LEPETIT S.P.A. (IT) 1981-08-26 EP disclosed