SCHEMBL6537780

SCHEMBL6537780

O=C(Nc1cccc2cccnc12)c1c(Cl)cccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.75
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
CASP3 P42574 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 5/20 0.66
PLEC Q15149 1/20 0.66
TP53 P04637 2/20 0.63
HTT P42858 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
HDAC6 Q9UBN7 1/20 0.62
TDP1 Q9NUW8 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60

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
SCHEMBL27803987 0.92 KDR (0.68) KDRMEN1KMT2ACASP3SENP8
SCHEMBL31565259 0.87 KDR (0.73) KDRMEN1KMT2ACASP3SENP8
SCHEMBL29510019 0.86 KDR (1.00) KDRMEN1KMT2ACASP3SENP8
SCHEMBL27947220 0.86 KDR (1.00) KDRMEN1KMT2ACASP3SENP8
SCHEMBL27803940 0.83 KDR (0.81) KDRMEN1KMT2ACASP3SENP8
SCHEMBL8473372 0.83 KDR (0.53) KDRMEN1KMT2ACASP3SENP8
SCHEMBL8473366 0.82 MAPT (0.52) KDRMEN1KMT2ACASP3SENP8
SCHEMBL4404120 0.82 KDR (0.73) KDRMEN1KMT2ACASP3SENP8
SCHEMBL31565261 0.82 KDR (0.73) KDRMEN1KMT2ACASP3SENP8
SCHEMBL8487877 0.82 MEN1 (0.57) KDRMEN1KMT2ACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed