SCHEMBL4381260

SCHEMBL4381260

COc1ccc2c(c1OC)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
▸ ALDH1A1 P00352 6/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAB9A P51151 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL4374365 0.92 LMNA (0.48) UTS2RALDH1A1POLBRAB9ALMNA
SCHEMBL4369056 0.89 ALDH1A1 (0.46) UTS2RALDH1A1POLBRAB9ALMNA
SCHEMBL4370182 0.88 ALDH1A1 (0.45) UTS2RALDH1A1POLBRAB9ALMNA
SCHEMBL13952136 0.87 UTS2R (0.53) UTS2RALDH1A1POLBRAB9AHTT
SCHEMBL4230320 0.86 ALDH1A1 (0.47) UTS2RALDH1A1POLBRAB9ALMNA
SCHEMBL4228354 0.86 ALDH1A1 (0.52) UTS2RALDH1A1POLBRAB9ALMNA
SCHEMBL4372475 0.81 ALDH1A1 (0.51) UTS2RALDH1A1POLBRAB9AKDM4E
SCHEMBL4369135 0.81 ALDH1A1 (0.46) UTS2RALDH1A1POLBRAB9AKDM4E
SCHEMBL4378112 0.81 ALDH1A1 (0.46) UTS2RALDH1A1POLBRAB9AKDM4E
SCHEMBL4365496 0.81 ALDH1A1 (0.48) ALDH1A1POLBRAB9AKDM4EHSD17B10

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
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