SCHEMBL8407247

SCHEMBL8407247

CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.47
AR P10275 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
CES2 O00748 1/20 0.47
ABCB11 O95342 1/20 0.47
GLA P06280 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
TBXA2R P21731 1/20 0.47
AADAC P22760 1/20 0.47
ADRA1A P35348 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
SCHEMBL8407120 0.84 ALDH1A1 (0.47) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL8409264 0.83 ALDH1A1 (0.47) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL8407371 0.83 ALDH1A1 (0.50) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL8410361 0.81 LMNA (0.49) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL8409864 0.80 GAA (0.43) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL8409158 0.80 AR (0.69) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL8409003 0.79 AR (0.55) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL8407132 0.77 ALDH1A1 (0.49) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL11310805 0.75 ALDH1A1 (0.65) LMNAALDH1A1ARSMN1; SMN2CYP1A2
SCHEMBL13390947 0.74 KMT2A (0.63) SMN1; SMN2CYP3A4CYP2C9CYP2C19MAPK1

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