SCHEMBL6054992

SCHEMBL6054992

Cc1ccc(NC(=O)c2ccccc2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.78
RAB9A P51151 7/20 0.78
KMT2A Q03164 6/20 0.69
FKBP5 Q13451 1/20 0.66
MEN1 O00255 4/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.59
KCNK3 O14649 5/20 0.59
KCNK9 Q9NPC2 4/20 0.59
POLB P06746 1/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL12561353 0.89 NPC1 (0.64) NPC1RAB9AKMT2AFKBP5MEN1
SCHEMBL20083955 0.86 KCNK3 (0.69) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28622654 0.85 RAB9A (0.93) NPC1RAB9AKMT2AFKBP5MEN1
SCHEMBL8203978 0.85 RAB9A (1.00) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL5172599 0.83 KMT2A (0.68) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6778190 0.82 KMT2A (0.71) NPC1RAB9AKMT2AFKBP5MEN1
SCHEMBL4701359 0.82 KMT2A (0.71) NPC1RAB9AKMT2AFKBP5MEN1
SCHEMBL4122903 0.82 NPC1 (0.71) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL23657657 0.82 NPC1 (0.67) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28025774 0.81 NPC1 (0.64) NPC1RAB9AKMT2AFKBP5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682181-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005027972-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT NOVARTIS AG (CH) 2005-03-31 WO disclosed