SCHEMBL8409105

SCHEMBL8409105

CC(C)(Cl)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
HTT P42858 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
EPHX1 P07099 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 4/20 0.58
XBP1 P17861 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TMPRSS4 Q9NRS4 1/20 0.54
AR P10275 2/20 0.50
DHODH Q02127 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
PGR P06401 1/20 0.48
CYP3A4 P08684 1/20 0.48
KDR P35968 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL8407479 0.87 AR (0.63) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL8527587 0.84 MAPT (0.64) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL8409965 0.84 KDR (0.69) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL8410666 0.83 EPHX1 (0.60) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL8410453 0.82 AR (0.48) HTTLMNAARPGRCYP3A4
SCHEMBL1431941 0.81 EPHX1 (0.74) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL30977691 0.81 EPHX1 (0.74) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL8410204 0.81 EPHX1 (0.61) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL2705806 0.78 MAPT (0.64) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL25894469 0.78 MAPT (0.58) MAPTHTTMEN1KMT2ANPSR1

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