SCHEMBL8540816

SCHEMBL8540816

NC1=C(C(=O)O)C(c2ccccc2C(F)(F)F)c2ccc3ccccc3c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 12/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GAA P10253 2/20 0.39
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL9290875 0.84 KMT2A (0.49) KDM4EMEN1KMT2ANPSR1ALDH1A1
SCHEMBL8543474 0.79 MYB (0.63) MYBKDM4EMAPTMEN1KMT2A
SCHEMBL8539160 0.68 KMT2A (0.56) MYBKDM4EMAPTMEN1KMT2A
SCHEMBL8544137 0.67 MEN1 (0.56) MYBKDM4EMAPTMEN1KMT2A
SCHEMBL8543444 0.65 MYB (0.70) MYBMAPTMEN1KMT2ALMNA
SCHEMBL8544234 0.64 MYB (0.75) MYBKDM4EMAPTMEN1KMT2A
SCHEMBL13736286 0.64 RBP4 (0.41) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL9672747 0.64 CACNA1C (0.58) MAPTMEN1KMT2ANFKB1TSHR
SCHEMBL3370877 0.63 HPGD (0.53) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8816773 0.63 ATM (0.45) MAPTMEN1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 EP disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 EP disclosed