SCHEMBL4374774

SCHEMBL4374774

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
UTS2R Q9UKP6 2/20 0.46
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 1/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4365434 0.91 UTS2R (0.46) TDP1UTS2RALDH1A1POLBMEN1
SCHEMBL4369260 0.90 TDP1 (0.50) TDP1UTS2RALDH1A1POLBMEN1
SCHEMBL4221134 0.90 APAF1 (0.46) TDP1UTS2RALDH1A1POLBMEN1
SCHEMBL4363603 0.87 ALDH1A1 (0.51) TDP1UTS2RALDH1A1POLBMEN1
SCHEMBL4378112 0.86 ALDH1A1 (0.46) TDP1UTS2RALDH1A1POLBMEN1
SCHEMBL4365496 0.86 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2ARAB9A
SCHEMBL4368668 0.85 ALDH1A1 (0.48) TDP1UTS2RALDH1A1POLBMEN1
SCHEMBL4229619 0.84 UTS2R (0.46) TDP1UTS2RALDH1A1POLBMEN1
SCHEMBL4370330 0.84 ALDH1A1 (0.43) UTS2RALDH1A1POLBMEN1KMT2A
SCHEMBL4369230 0.82 ALDH1A1 (0.47) UTS2RALDH1A1POLBMEN1KMT2A

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