SCHEMBL6824640

SCHEMBL6824640

COc1cc(OC)cc(-c2c(F)c3cc(F)ccc3[nH]c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CSF1R P07333 1/20 0.42
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
PARP1 P09874 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6825654 0.89 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6825043 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6824577 0.76 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6825118 0.72 KDM4E (0.55) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL6821955 0.72 PADI4 (0.55) KDM4EALDH1A1HPGDLMNACSF1R
SCHEMBL14598935 0.69 ABCG2 (0.66) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL16814644 0.69 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6825371 0.69 MAPT (0.49) KDM4EALDH1A1HPGDLMNAKEAP1
SCHEMBL6295684 0.68 ALDH1A1 (0.81) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3422670 0.68 KDM4E (0.53) KDM4EALDH1A1HPGDMEN1KMT2A

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
WO-2004089930-A1 4-FLUOROQUINOLONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2004-10-21 WO disclosed