SCHEMBL934440

SCHEMBL934440

O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.75
L3MBTL1 Q9Y468 4/20 0.75
KMT2A Q03164 3/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TDP1 Q9NUW8 1/20 0.58
WNT3A P56704 1/20 0.57
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 3/20 0.55
GAA P10253 1/20 0.54
BRD4 O60885 1/20 0.54
GLA P06280 1/20 0.53
MAPK1 P28482 1/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL18286227 0.91 L3MBTL1 (0.67) RAB9AL3MBTL1KMT2AMEN1LMNA
SCHEMBL18286262 0.86 L3MBTL1 (1.00) RAB9AL3MBTL1KMT2AMEN1LMNA
SCHEMBL933299 0.85 RAB9A (0.74) RAB9AL3MBTL1KMT2AMEN1LMNA
SCHEMBL26986446 0.83 RAB9A (0.71) RAB9AL3MBTL1KMT2AMEN1LMNA
SCHEMBL29963496 0.83 KMT2A (0.71) RAB9AL3MBTL1KMT2AMEN1LMNA
SCHEMBL12069639 0.81 WNT3A (0.55) RAB9AL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL19763053 0.80 WNT3A (0.74) RAB9AKMT2AMEN1SMN1; SMN2WNT3A
SCHEMBL29385905 0.79 DEGS1 (0.71) RAB9AL3MBTL1KMT2AMEN1LMNA
SCHEMBL11034892 0.79 TDP1 (0.69) RAB9AL3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL18292431 0.78 L3MBTL1 (0.71) RAB9AL3MBTL1KMT2AMEN1LMNA

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