SCHEMBL7945836

SCHEMBL7945836

CC(=O)CC(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NR1I2 O75469 1/20 0.46
NR3C1 P04150 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL9319278 1.00 KMT2A (0.52) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL9319273 1.00 KMT2A (0.52) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL3486388 0.81 NPC1 (0.65) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL9297310 0.81 NPC1 (0.65) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL9297312 0.81 NPC1 (0.65) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL8642223 0.80 MAPT (0.64) MAPTALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL27705845 0.80 NPC1 (0.48) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL5025416 0.79 MAPT (0.51) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL5496015 0.79 KMT2A (0.55) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL11697720 0.77 ALDH1A1 (0.50) KMT2ANPC1MAPTMEN1MAPK1

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
US-6255461-B1 IMMUNOGLOBULIN; FOR USE AS A DIAGNOSTIC AND THERAPEUTIC TOOL IN THE TREATMENT OF MAMMALIAN DEFECTS MOSBACH KLAUS (SE) 2001-07-03 US disclosed
US-5858296-A A BIOLOGICALLY ACTIVE MOLECULE FORMED BY POLYMERIZATION OF FUNCTIONAL MONOMERS AROUND A TEMPLATE MOLECULE THAT EXHIBITS DRUG ACTIVITY, REMOVAL OF TEMPLATE AND POLYMERIZATION OF SECOND CLASS OF MONOMER IN THE VOIDS LEFT BY TEMPLATE YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-01-12 US disclosed
US-5630978-A POLYMERIZATION OF FUNCTIONAL MONOMERS AROUND A BIOLOGICALLY ACTIVE TEMPLATE MOLECULE, REMOVAL OF TEMPLATE TO LEAVE A VOID, THEN POLYMERIZATION OF OTHER MONOMER(S) IN THE VOID YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1997-05-20 US disclosed
WO-1996040822-A1 PREPARATION OF BIOLOGICALLY ACTIVE MOLECULES BY MOLECULAR IMPRINTING YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (US) 1996-12-19 WO disclosed