SCHEMBL6231325

SCHEMBL6231325

[c]1[nH]c2ccc(-c3nc4ccccc4o3)c(-c3nc4ccccc4[nH]3)c2c1-c1nc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.36
ALDH1A1 P00352 11/20 0.36
HPGD P15428 10/20 0.36
MAPT P10636 9/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
CASP1 P29466 2/20 0.36
NPC1 O15118 11/20 0.34
RAB9A P51151 11/20 0.34
SMN1; SMN2 Q16637 11/20 0.32
TP53 P04637 9/20 0.32
HSD17B10 Q99714 8/20 0.32
NPSR1 Q6W5P4 3/20 0.32
PKM P14618 3/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 4/20 0.32
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32

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
SCHEMBL4675235 0.71 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL3128277 0.68 NPC1 (0.60) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL8991921 0.68 RAB9A (0.53) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL824391 0.68 NPC1 (0.60) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL12776968 0.67 MAPT (0.44) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL8327904 0.66 RAB9A (0.44) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL11362017 0.65 NPC1 (0.45) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL1515611 0.65 RAB9A (0.42) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL12861184 0.63 PTGS2 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL15798462 0.63 RAB9A (0.43) KDM4EALDH1A1HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed