SCHEMBL4368668

SCHEMBL4368668

COc1ccc2c(c1OC)C(=O)N(Cc1ccc(F)c(C)c1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
UTS2R Q9UKP6 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4363603 0.91 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AUTS2RTDP1
SCHEMBL4369260 0.91 TDP1 (0.50) ALDH1A1MEN1KMT2AUTS2RTDP1
SCHEMBL4365434 0.87 UTS2R (0.46) ALDH1A1MEN1KMT2AUTS2RTDP1
SCHEMBL4229619 0.87 UTS2R (0.46) ALDH1A1MEN1KMT2AUTS2RTDP1
SCHEMBL4374774 0.85 TDP1 (0.47) ALDH1A1MEN1KMT2AUTS2RTDP1
SCHEMBL4378112 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AUTS2RTDP1
SCHEMBL4365496 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL4369230 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AUTS2RRAB9A
SCHEMBL4372475 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AUTS2RTDP1
SCHEMBL4233329 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AUTS2RRAB9A

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