SCHEMBL4039345

SCHEMBL4039345

O=C1c2ccccc2C(=O)N1Cc1cc(Cl)c2cccnc2c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.46
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 8/20 0.43
LMNA P02545 7/20 0.43
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
RAB9A P51151 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 5/20 0.41
ALOX12 P18054 2/20 0.41
CCR6 P51684 1/20 0.41
CASP3 P42574 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL4039335 0.80 METAP2 (0.60) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL1811084 0.80 HIF1A (0.49) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL4042845 0.79 HIF1A (0.48) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL3822384 0.78 HIF1A (0.64) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL1811826 0.78 HIF1A (0.46) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL12622768 0.75 HIF1A (0.46) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL12622766 0.75 HIF1A (0.44) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL1815491 0.74 HIF1A (0.46) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL4041268 0.73 HTT (0.45) HTTMAPTSMN1; SMN2HIF1ANPSR1
SCHEMBL11653681 0.71 DRD2 (0.58) HTTMAPTLMNAALDH1A1GRM5

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