SCHEMBL4042845

SCHEMBL4042845

NCc1cc(Cl)c2cccnc2c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.48
MAPT P10636 6/20 0.44
HTT P42858 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 5/20 0.44
ALOX12 P18054 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CCR6 P51684 1/20 0.44
KDM4E B2RXH2 7/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
MMP14 P50281 3/20 0.42
TDP1 Q9NUW8 4/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3822384 0.85 HIF1A (0.64) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL1811084 0.85 HIF1A (0.49) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL1811826 0.85 HIF1A (0.46) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL12622766 0.84 HIF1A (0.44) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL12622768 0.82 HIF1A (0.46) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL1815491 0.81 HIF1A (0.46) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL4041268 0.80 HTT (0.45) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL4039345 0.79 HTT (0.46) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL4037188 0.79 HIF1A (0.45) HIF1AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL14033221 0.78 HIF1A (0.40) HIF1AMAPTHTTSMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed