SCHEMBL4363603

SCHEMBL4363603

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.48
UTS2R Q9UKP6 2/20 0.47
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.43
CNR2 P34972 1/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 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
SCHEMBL4368668 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATDP1UTS2R
SCHEMBL4369260 0.91 TDP1 (0.50) ALDH1A1MEN1KMT2ATDP1UTS2R
SCHEMBL4374774 0.87 TDP1 (0.47) ALDH1A1MEN1KMT2ATDP1UTS2R
SCHEMBL4378112 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATDP1UTS2R
SCHEMBL4365434 0.85 UTS2R (0.46) ALDH1A1MEN1KMT2ATDP1UTS2R
SCHEMBL4229619 0.85 UTS2R (0.46) ALDH1A1MEN1KMT2ATDP1UTS2R
SCHEMBL4365496 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL4369230 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AUTS2RRAB9A
SCHEMBL4372475 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATDP1UTS2R
SCHEMBL4221134 0.81 APAF1 (0.46) ALDH1A1MEN1KMT2ATDP1UTS2R

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