SCHEMBL8409108

SCHEMBL8409108

CC(C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MLYCD O95822 1/20 0.39
GAA P10253 1/20 0.38
CETP P11597 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 4/20 0.36
GRM4 Q14833 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
CES2 O00748 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
SCHEMBL8409970 0.85 MDM4 (0.45) MDM4TP53KMT2ASMN1; SMN2MLYCD
SCHEMBL8407481 0.84 MDM4 (0.44) MDM4TP53KMT2ASMN1; SMN2THRA
SCHEMBL8410454 0.83 MDM4 (0.43) MDM4TP53KMT2ASMN1; SMN2MLYCD
SCHEMBL8410669 0.81 KDM4E (0.42) MDM4TP53KMT2ASMN1; SMN2THRA
SCHEMBL8410205 0.79 MDM4 (0.39) MDM4TP53KMT2ASMN1; SMN2THRA
SCHEMBL8407214 0.79 ALDH1A1 (0.55) MDM4TP53KMT2ASMN1; SMN2GAA
SCHEMBL8407115 0.75 MDM4 (0.44) MDM4TP53KMT2ASMN1; SMN2MLYCD
SCHEMBL14254814 0.71 ALDH1A1 (0.64) TP53SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL8409003 0.70 AR (0.55) MDM4TP53KMT2ASMN1; SMN2GAA
SCHEMBL12323597 0.70 GAA (0.53) MDM4TP53KMT2ATHRATHRB

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