SCHEMBL8407306

SCHEMBL8407306

CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=N

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.78
LMNA P02545 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
MEN1 O00255 1/20 0.78
TP53 P04637 1/20 0.78
CYP1A2 P05177 1/20 0.78
PGR P06401 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
ALOX12 P18054 1/20 0.78
NFKB1 P19838 1/20 0.78
CYP2C19 P33261 1/20 0.78
RAB9A P51151 1/20 0.78
KMT2A Q03164 1/20 0.78
PDE4D Q08499 1/20 0.78
NPSR1 Q6W5P4 1/20 0.78
SIRT6 Q8N6T7 1/20 0.50
POLB P06746 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
Nilutamide SCHEMBL1462011 0.88 AR (1.00) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL29351021 0.88 AR (1.00) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL12670 0.88 AR (1.00) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL28562851 0.87 AR (0.98) ARLMNASMN1; SMN2MEN1TP53
SCHEMBL10511900 0.85 AR (0.64) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL20695037 0.83 AR (0.89) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL5579273 0.83 AR (0.89) ARLMNASMN1; SMN2MEN1TP53
SCHEMBL11086556 0.82 AR (0.78) ARLMNASMN1; SMN2MEN1TP53
SCHEMBL11087769 0.80 AR (0.76) ARLMNASMN1; SMN2MEN1TP53
SCHEMBL629458 0.79 AR (0.74) ARLMNASMN1; SMN2MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4097578-A ANTIANDROGENS ROUSSEL UCLAF (FR) 1978-06-27 US claimed
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
US-4097578-A ANTIANDROGENS ROUSSEL UCLAF (FR) 1978-06-27 US disclosed