SCHEMBL7448757

SCHEMBL7448757

O=C(Nc1ccccc1Cl)c1cc2ccccc2o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.78
NPC1 O15118 15/20 0.78
ATM Q13315 3/20 0.78
TP53 P04637 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.68
ALDH1A1 P00352 3/20 0.68
TSHR P16473 3/20 0.68
HPGD P15428 2/20 0.68
HSD17B10 Q99714 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MAPK1 P28482 1/20 0.68
KDM4E B2RXH2 3/20 0.65
TAAR1 Q96RJ0 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
PKM P14618 1/20 0.64

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
SCHEMBL13219598 0.85 RAB9A (0.66) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL21788606 0.84 HDAC2 (0.73) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL7450576 0.82 NPC1 (1.00) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL14479864 0.82 NPC1 (0.70) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL13701152 0.81 RAB9A (0.74) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL7398515 0.80 RAB9A (0.71) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL19476104 0.80 NPC1 (0.67) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL7453037 0.80 MAOB (0.72) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL2610072 0.79 NPC1 (0.78) RAB9ANPC1ATMTP53SMN1; SMN2
SCHEMBL5866982 0.78 NPC1 (1.00) RAB9ANPC1ATMTP53SMN1; SMN2

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-0873331-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES Darwin Discovery Limited (GB) 1998-10-28 EP claimed
WO-1997020833-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES DARWIN DISCOVERY LIMITED (GB) 1997-06-12 WO claimed