SCHEMBL8604882

SCHEMBL8604882

O=C(c1ccncc1)C1C(=O)c2ccccc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
HTT P42858 4/20 0.72
HBB P68871 2/20 0.72
ALOX15 P16050 1/20 0.72
CYP1A2 P05177 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 2/20 0.64
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
MAPK10 P53779 1/20 0.52
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC25A5 P05141 2/20 0.45
ADORA3 P0DMS8 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL11451081 0.84 MAPT (1.00) MAPTHTTHBBALOX15CYP1A2
SCHEMBL7145735 0.78 MAPT (0.72) MAPTHTTHBBALOX15CYP1A2
SCHEMBL6958511 0.78 MAPT (1.00) MAPTHTTHBBALOX15CYP1A2
SCHEMBL4811658 0.78 MAPT (0.72) MAPTHTTHBBALOX15CYP1A2
SCHEMBL8856814 0.75 MAPT (0.49) MAPTHTTHBBALOX15CYP1A2
SCHEMBL6970354 0.74 MAPT (0.68) MAPTHTTHBBALOX15CYP1A2
SCHEMBL8856821 0.71 ALDH1A1 (0.55) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL22802233 0.70 MAPT (0.61) MAPTHTTHBBALOX15CYP1A2
SCHEMBL6863960 0.70 HTT (0.66) MAPTHTTHBBALOX15CYP1A2
SCHEMBL29603379 0.70 MAPT (0.61) MAPTHTTHBBALOX15CYP1A2

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO claimed