SCHEMBL2844878

SCHEMBL2844878

C/C(=N\Nc1cccc(F)c1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
RAB9A P51151 5/20 0.62
GAA P10253 4/20 0.62
MEN1 O00255 4/20 0.62
NPC1 O15118 2/20 0.62
MAPT P10636 3/20 0.51
GFER P55789 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AGTR1 P30556 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL2790141 0.85 KMT2A (0.67) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL1605962 0.85 ALDH1A1 (0.68) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL22714090 0.83 MAPT (0.62) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL6681734 0.83 RAB9A (0.63) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL6681732 0.83 RAB9A (0.63) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL10808100 0.79 RAB9A (0.72) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL7950232 0.76 RAB9A (0.65) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL8225127 0.76 RAB9A (0.62) KMT2ARAB9AGAAMEN1NPC1
Hydrochloric Acid SCHEMBL1606124 0.75 RAB9A (0.64) KMT2ARAB9AGAAMEN1NPC1
Hydrochloric Acid SCHEMBL6682864 0.75 KMT2A (0.69) KMT2ARAB9AGAAMEN1NPC1

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed