SCHEMBL933299

SCHEMBL933299

O=C(Cc1ccccc1)Nc1ccc(Cl)cn1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
LMNA P02545 3/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
TSHR P16473 1/20 0.74
DEGS1 O15121 1/20 0.71
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.61
POLB P06746 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
TP53 P04637 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 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
SCHEMBL17485643 0.87 L3MBTL1 (0.64) RAB9ALMNAL3MBTL1TSHRDEGS1
SCHEMBL934440 0.85 RAB9A (0.75) RAB9ALMNAL3MBTL1TSHRDEGS1
SCHEMBL18292466 0.85 L3MBTL1 (0.78) RAB9ALMNAL3MBTL1TSHRALDH1A1
SCHEMBL18286246 0.84 RAB9A (0.61) RAB9ALMNAL3MBTL1TSHRALDH1A1
SCHEMBL20284048 0.83 DEGS1 (1.00) RAB9ALMNAL3MBTL1TSHRDEGS1
SCHEMBL26986446 0.82 RAB9A (0.71) RAB9ALMNAL3MBTL1TSHRALDH1A1
SCHEMBL21286264 0.82 WNT3A (0.78) RAB9ADEGS1KMT2AMEN1HSD17B10
SCHEMBL22607250 0.82 KMT2A (0.84) RAB9ALMNADEGS1ALDH1A1KMT2A
SCHEMBL934578 0.82 KMT2A (0.74) RAB9ALMNATSHRDEGS1ALDH1A1
SCHEMBL29385905 0.82 DEGS1 (0.71) RAB9ALMNAL3MBTL1TSHRDEGS1

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
WO-2011008475-A1 OPTIONALLY SUBSTITUTED 2-(ARYLMETHYL, ARYLOXY OR ARYLTHIO) -N- PYRIDIN-2 -YL-ARYL ACETAMIDE OR 2, 2-BIS (ARYL) -N-PYRIDIN-2-YL ACETAMIDE COMPOUNDS AS MEDICAMENTS FOR THE TREATMENT OF EYE DISEASES ALLERGAN, INC. (US) 2011-01-20 WO claimed