SCHEMBL4224830

SCHEMBL4224830

COc1ccc2c(c1OC)C(=O)N(Cc1cccc(Cl)c1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ UTS2R Q9UKP6 1/20 0.50
▸ CASP6 P55212 1/20 0.46
▸ THRB P10828 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TDP1 Q9NUW8 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
SCHEMBL4367705 0.87 ALDH1A1 (0.60) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4372475 0.86 ALDH1A1 (0.51) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4231535 0.86 ALDH1A1 (0.51) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4233541 0.86 ALDH1A1 (0.51) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4566186 0.86 ALDH1A1 (0.51) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4369233 0.85 ALDH1A1 (0.52) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4221134 0.84 APAF1 (0.46) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4365434 0.84 UTS2R (0.46) MEN1KMT2AALDH1A1POLBUTS2R
SCHEMBL4369260 0.82 TDP1 (0.50) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL4374774 0.81 TDP1 (0.47) MAPTKDM4EMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 — — WO claimed
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 — — WO disclosed
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