SCHEMBL14608669

SCHEMBL14608669

Nc1cccc(-c2ccc(C=O)o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 7/20 0.60
POLB P06746 5/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 3/20 0.59
CYP2E1 P05181 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 3/20 0.50
LDHA P00338 1/20 0.48
LDHB P07195 1/20 0.48
HAO1 Q9UJM8 1/20 0.48
MAP4K4 O95819 1/20 0.44

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
SCHEMBL21426983 0.81 MAPT (0.69) ALDH1A1KDM4EMAPTCYP3A4HPGD
SCHEMBL8243143 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL25977802 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL26168426 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL14324716 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL624327 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL7328684 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL14324626 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL2324212 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL6415208 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523485-B1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 EP disclosed