SCHEMBL8544742

SCHEMBL8544742

CC(=O)NC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
ALDH1A1 P00352 7/20 0.53
LMNA P02545 5/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 1/20 0.53
ALOX12 P18054 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL8544752 0.90 ALDH1A1 (0.51) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8548053 0.87 ALDH1A1 (0.56) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8545602 0.87 ALDH1A1 (0.56) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8544120 0.85 ALDH1A1 (0.73) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8546898 0.83 ALDH1A1 (0.51) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8541121 0.83 KDM4E (0.53) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8550665 0.81 MAPT (0.49) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8543140 0.79 ALDH1A1 (0.51) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8547302 0.79 MAPT (0.51) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL8549098 0.79 ALDH1A1 (0.47) MAPTALDH1A1LMNAKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557075-B1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY CO ELI (GB) 1998-06-24 EP disclosed
US-5663375-A CELL PROLIFERATION ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5622987-A PREVENT MIGRATION OR PROLIFERATION OF SMOOTH MUSCLE CELLS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5378699-A Treatment of immune diseases, cell proliferation, restenosis and smooth muscle cells LILLY INDUSTRIES LIMITED (GB) 1995-01-03 US disclosed
EP-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed