SCHEMBL8870840

SCHEMBL8870840

CC(Nc1ccccc1Nc1ccccc1F)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.45
MAPK8 P45983 3/20 0.43
MAPK9 P45984 3/20 0.43
MAPK10 P53779 3/20 0.43
MAPK14 Q16539 2/20 0.43
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
PIM1 P11309 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
SCHEMBL1241980 0.80 IDH1 (0.43) IDH1KMT2ANPC1RAB9ATAS1R3
SCHEMBL1241626 0.72 EPHX2 (0.49) IDH1NPC1RAB9AALDH1A1TAS1R3
SCHEMBL31092447 0.71 SMN1; SMN2 (0.55) KMT2AL3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL6938812 0.71 KDM4E (0.50) KMT2ARAB9AMEN1ALDH1A1TAS1R3
SCHEMBL6938817 0.71 KDM4E (0.50) KMT2ARAB9AMEN1ALDH1A1TAS1R3
SCHEMBL11151926 0.70 ABCC1 (0.50) MAPK8KMT2ANPC1RAB9AMEN1
SCHEMBL29793294 0.70 CXCL8 (0.55) MAPK10KMT2ANPC1RAB9AMEN1
SCHEMBL396120 0.70 CXCL8 (0.55) MAPK10KMT2ANPC1RAB9AMEN1
SCHEMBL632301 0.68 L3MBTL1 (0.49) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL14928325 0.67 ACHE (0.54) MAPK10KMT2ANPC1RAB9AL3MBTL1

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
US-5641775-A 3-phenylureido-1,5-benzodiazepine-diones useful as gastrin or antagonists GLAXO SPA (IT) 1997-06-24 US disclosed