SCHEMBL8329140

SCHEMBL8329140

Oc1c2ncc3ccccc3c2nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
NPY5R Q15761 2/20 0.45
EPHX2 P34913 1/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PHGDH O43175 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL8324694 0.86 MAPT (0.40) MAPTL3MBTL1RAB9ANPSR1ADORA3
SCHEMBL8466029 0.80 SCN9A (0.32) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL8466300 0.77 GAA (0.43) MAPTPOLBSMN1; SMN2GAATDP1
SCHEMBL8322673 0.77 AURKA (0.36) KMT2AMEN1POLBSMN1; SMN2GAA
Water SCHEMBL8468351 0.77 NPY5R (0.44) KMT2AMEN1MAPTMAPK1NPY5R
SCHEMBL8329043 0.76 TEAD1 (0.39) SMN1; SMN2
SCHEMBL8326878 0.75 KDM4E (0.41) KMT2AMEN1MAPTGAATDP1
SCHEMBL8320446 0.75 NPC1 (0.49) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL8462048 0.75 KDM4E (0.39) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL8321754 0.75 KDM4E (0.41) MAPTPOLBSMN1; SMN2GAAHPGD

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-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP claimed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO claimed