SCHEMBL8410669

SCHEMBL8410669

COc1c(NC(=O)C(C)C)ccc(Br)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
MLYCD O95822 1/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL8410205 0.87 MDM4 (0.39) KDM4ELMNAMAPK1MDM4TP53
SCHEMBL13199440 0.85 RXFP1 (0.45) KDM4ELMNAALDH1A1TSHRATM
SCHEMBL8407481 0.82 MDM4 (0.44) KDM4ELMNAMAPK1MDM4TP53
SCHEMBL8409108 0.81 MDM4 (0.43) KDM4ELMNAMAPK1MDM4TP53
SCHEMBL8409951 0.80 ALDH1A1 (0.53) LMNAMAPK1MDM4TP53ALDH1A1
SCHEMBL5660190 0.71 THRB (0.61) KDM4ETHRATHRBALDH1A1TSHR
SCHEMBL3044578 0.70 KMT2A (0.53) KDM4ELMNATHRATHRBALDH1A1
SCHEMBL8409970 0.69 MDM4 (0.45) LMNAMDM4TP53ALDH1A1KMT2A
SCHEMBL8409003 0.68 AR (0.55) LMNAMAPK1MDM4TP53ALDH1A1
SCHEMBL7752718 0.68 RXFP1 (0.53) ALDH1A1ATMKMT2AMAPTCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed