SCHEMBL8545602

SCHEMBL8545602

CC(=O)NC1=C(C#N)C(c2ccc(Cl)cc2)C2=C(O1)c1ccccc1CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
MAPT P10636 9/20 0.56
LMNA P02545 7/20 0.56
KDM4E B2RXH2 6/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 7/20 0.50
GLA P06280 1/20 0.50
ALOX12 P18054 1/20 0.50
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 5/20 0.36
HTT P42858 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL8548053 0.90 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8546898 0.90 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8544742 0.87 MAPT (0.53) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8550665 0.84 MAPT (0.49) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8541121 0.84 KDM4E (0.53) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8544221 0.82 ALDH1A1 (0.82) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8543140 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8547302 0.82 MAPT (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8549098 0.82 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8544752 0.81 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1

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 6 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
US-5378717-A Therapy for diabetic complications ELI LILLY AND COMPANY (US) 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