SCHEMBL5015285

SCHEMBL5015285

O=C(Nc1ccc(Cl)c(Nc2ccccc2)c1)c1ccc(CN2CCOCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.59
EPAS1 Q99814 3/20 0.59
WNT3A P56704 4/20 0.49
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 4/20 0.48
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
CCNA1 P78396 1/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL402922 0.92 HIF1A (0.63) HIF1AEPAS1WNT3ARAB9ANPC1
SCHEMBL4968364 0.91 MCHR1 (0.49) HIF1AEPAS1MAPK1MAPTSMN1; SMN2
SCHEMBL4968510 0.89 MAPK7 (0.52) HIF1AEPAS1WNT3ARAB9AFLT3
SCHEMBL404278 0.82 MAPT (0.52) HIF1AEPAS1RAB9ANPC1LMNA
SCHEMBL1018345 0.82 KCNH2 (0.60) HIF1AEPAS1RAB9ANPC1KMT2A
SCHEMBL4973956 0.81 SMO (0.47) HIF1AEPAS1RAB9ANPC1KMT2A
SCHEMBL4973693 0.81 MAPK7 (0.50) HIF1AEPAS1FLT3LMNA
SCHEMBL401260 0.81 PAICS (0.56) HIF1AEPAS1WNT3AFLT3LMNA
SCHEMBL4971496 0.80 SMN1; SMN2 (0.47) HIF1AEPAS1RAB9ANPC1KMT2A
SCHEMBL10238341 0.79 HIF1A (0.71) HIF1AEPAS1RAB9ANPC1KMT2A

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-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO claimed