SCHEMBL13952250

SCHEMBL13952250

COc1ccc2c(c1C)C(=O)N(Cc1c(F)ccc(F)c1Cl)C2=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ TRAP1 Q12931 1/20 0.39
▸ EZH2 Q15910 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GNRHR P30968 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL4370182 0.88 ALDH1A1 (0.45) UTS2RHSP90AA1HSP90B1TRAP1HTT
SCHEMBL13952136 0.88 UTS2R (0.53) UTS2RHTTTDP1GNRHRRAB9A
SCHEMBL13952311 0.77 KDM4E (0.45) UTS2RHTTTDP1RXFP1RAB9A
SCHEMBL4369056 0.77 ALDH1A1 (0.46) UTS2RHSP90AA1HSP90B1TRAP1HTT
SCHEMBL4374365 0.75 LMNA (0.48) UTS2RHTTRAB9A
SCHEMBL4381260 0.75 UTS2R (0.53) UTS2RHTTTDP1RAB9A
SCHEMBL4230193 0.74 MEN1 (0.36) HTTTDP1
SCHEMBL4368995 0.71 ALDH1A1 (0.43) RXFP1RAB9A
SCHEMBL4365434 0.71 UTS2R (0.46) UTS2RTDP1RAB9A
SCHEMBL4368668 0.69 ALDH1A1 (0.48) UTS2RTDP1RAB9A

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 1 patent. 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 disclosed
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