SCHEMBL4233541

SCHEMBL4233541

COc1ccc2c(c1OC)C(=O)N(Cc1cccc(Br)c1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
UTS2R Q9UKP6 3/20 0.48
RAB9A P51151 1/20 0.43

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
SCHEMBL4566186 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4372475 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4231535 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4224830 0.86 MAPT (0.60) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4367705 0.85 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4369233 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4229619 0.81 UTS2R (0.46) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4225023 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4369260 0.80 TDP1 (0.50) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL4221134 0.80 APAF1 (0.46) ALDH1A1MEN1KMT2AKDM4EPOLB

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