SCHEMBL13952136

SCHEMBL13952136

COc1ccc2c(c1C)C(=O)N(Cc1c(F)cccc1F)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.41
▸ GNRHR P30968 10/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39

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
SCHEMBL13952250 0.88 UTS2R (0.44) UTS2RTDP1GNRHRRAB9AHTT
SCHEMBL4381260 0.87 UTS2R (0.53) UTS2RTDP1KDM4EMEN1KMT2A
SCHEMBL13952311 0.86 KDM4E (0.45) UTS2RTDP1KDM4EMEN1KMT2A
SCHEMBL4374365 0.80 LMNA (0.48) UTS2RMEN1KMT2AALDH1A1POLB
SCHEMBL4369056 0.76 ALDH1A1 (0.46) UTS2RKDM4EMEN1KMT2AMAPK1
SCHEMBL4370182 0.75 ALDH1A1 (0.45) UTS2RKDM4EMEN1KMT2AMAPK1
SCHEMBL4230320 0.74 ALDH1A1 (0.47) UTS2RTDP1KDM4EMEN1KMT2A
SCHEMBL4228354 0.73 ALDH1A1 (0.52) UTS2RKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4368938 0.73 CA12 (0.42) UTS2RTDP1KDM4EMEN1KMT2A
SCHEMBL18668934 0.72 CA12 (0.55) MEN1KMT2AALDH1A1POLBATM

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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