SCHEMBL3944985

SCHEMBL3944985

Fc1ccc(Nc2c[nH]cn2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MAPK10 P53779 2/20 0.33
SLC40A1 Q9NP59 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TGFBR1 P36897 1/20 0.30
PTK6 Q13882 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3822276 0.72 MAPK10 (0.36) KDM4EMAPK10SLC40A1
SCHEMBL5074316 0.70 MAPK10 (0.51) MAPK10MAPTMEN1KMT2AGAA
SCHEMBL14048610 0.69 MEN1 (0.65) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL445017 0.69 MAPT (0.48) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL25167315 0.67 ADRA2A (0.56) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL5006940 0.66 MAPT (0.50) KDM4EMAPTMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL4594657 0.65 MAPT (0.48) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6625263 0.64 TDP1 (0.38) KDM4ESLC40A1MAPTMEN1KMT2A
SCHEMBL8852094 0.64 IDO1 (0.57) KDM4ESLC40A1MAPTMEN1KMT2A
SCHEMBL30366540 0.64 HPRT1 (0.46) KDM4EMAPTGAATDP1ALDH1A1

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-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed