SCHEMBL8577203

SCHEMBL8577203

Cc1ccccc1-c1cc(CO)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.60
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 5/20 0.56
NPC1 O15118 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
HPGD P15428 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL2120462 0.83 NOTUM (0.60) NOTUMRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL15695539 0.81 NPC1 (0.50) NOTUMRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL1313860 0.80 CYP1A2 (0.61) NOTUMRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL4275449 0.80 NOTUM (0.60) NOTUMRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL31532187 0.80 NOTUM (0.55) NOTUMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL16915404 0.80 NOTUM (0.55) NOTUMRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL20845555 0.75 NOTUM (0.67) NOTUMRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL1313626 0.75 NOTUM (1.00) NOTUMRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL20163150 0.75 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL27614908 0.74 NOTUM (0.53) NOTUMRAB9ASMN1; SMN2MAPTNPC1

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-1998015541-A1 NOVEL ISOXAZOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 1998-04-16 WO disclosed