SCHEMBL9709062

SCHEMBL9709062

CC(CC(F)(F)F)C(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.56
ACE P12821 1/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
ATM Q13315 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
POLB P06746 2/20 0.47
PDK1 Q15118 2/20 0.46
PDK2 Q15119 2/20 0.46
PDK3 Q15120 2/20 0.46
PDK4 Q16654 2/20 0.46
HPGD P15428 2/20 0.45

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
SCHEMBL17612824 0.85 MME (0.58) MMEACEMEN1KMT2AALDH1A1
SCHEMBL11879432 0.83 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL21498198 0.81 MME (0.54) MMEACEMEN1KMT2AALDH1A1
SCHEMBL2844155 0.79 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL18456226 0.79 MME (0.63) MMEACEMEN1KMT2AALDH1A1
SCHEMBL12205972 0.79 MME (0.63) MMEACEMEN1KMT2AALDH1A1
SCHEMBL4151615 0.79 MME (0.63) MMEACEMEN1KMT2AALDH1A1
SCHEMBL8027661 0.79 MME (0.63) MMEACEMEN1KMT2AALDH1A1
SCHEMBL9293872 0.78 MEN1 (0.58) MEN1KMT2AMAPTNPC1POLB
SCHEMBL9293602 0.78 MEN1 (0.58) MEN1KMT2AMAPTNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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