SCHEMBL4374365

SCHEMBL4374365

COc1ccc2c(c1OC)C(=O)N(Cc1c(F)cccc1Cl)C2=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ UTS2R Q9UKP6 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ATM Q13315 2/20 0.45
▸ HTT P42858 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PKM P14618 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
SCHEMBL4381260 0.92 UTS2R (0.53) LMNAUTS2RALDH1A1POLBMEN1
SCHEMBL4370182 0.87 ALDH1A1 (0.45) LMNAUTS2RALDH1A1POLBMEN1
SCHEMBL4368165 0.86 ALDH1A1 (0.45) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL4369056 0.83 ALDH1A1 (0.46) LMNAUTS2RALDH1A1POLBMEN1
SCHEMBL4370330 0.82 ALDH1A1 (0.43) UTS2RALDH1A1POLBMEN1KMT2A
SCHEMBL4230320 0.81 ALDH1A1 (0.47) LMNAUTS2RALDH1A1POLBMEN1
SCHEMBL4228354 0.81 ALDH1A1 (0.52) LMNAUTS2RHCRTR1HCRTR2ALDH1A1
SCHEMBL13952136 0.80 UTS2R (0.53) UTS2RALDH1A1POLBMEN1KMT2A
SCHEMBL4365434 0.80 UTS2R (0.46) UTS2RALDH1A1POLBMEN1KMT2A
SCHEMBL4374774 0.80 TDP1 (0.47) LMNAUTS2RALDH1A1POLBMEN1

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
Send feedback