SCHEMBL7450576

SCHEMBL7450576

O=C(Nc1cccnc1Cl)c1cc2ccccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 1.00
RAB9A P51151 15/20 1.00
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.64
TP53 P04637 4/20 0.64
PKM P14618 2/20 0.64
ATM Q13315 2/20 0.62
TSHR P16473 5/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
MAPK1 P28482 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL17552238 0.85 RAB9A (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7448757 0.82 RAB9A (0.78) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21788606 0.78 HDAC2 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14479864 0.77 NPC1 (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13701152 0.76 RAB9A (0.74) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7398515 0.75 RAB9A (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19476104 0.75 NPC1 (0.67) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL27623318 0.74 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2610072 0.74 NPC1 (0.78) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9868697 0.74 RAB9A (0.76) NPC1RAB9AMEN1KMT2ASMN1; 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