SCHEMBL10123504

SCHEMBL10123504

CC1CCN(C(=O)NC(C)(C(C)(F)F)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL10122345 0.93 LMNA (0.47) LMNAEPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL13993504 0.83 GAA (0.45) LMNAEPHX2SMN1; SMN2NPC1KMT2A
SCHEMBL10123579 0.81 GAA (0.44) LMNAEPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL10123383 0.81 GAA (0.44) LMNAEPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL12788459 0.79 LMNA (0.68) LMNAEPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL10123588 0.78 NPC1 (0.50) LMNAEPHX2SMN1; SMN2NPC1MAPT
SCHEMBL10122411 0.75 GAA (0.47) LMNAEPHX2SMN1; SMN2NPC1KMT2A
SCHEMBL10122282 0.74 GAA (0.46) LMNAEPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL416487 0.74 GAA (0.46) LMNAEPHX2SMN1; SMN2ALDH1A1NPC1
SCHEMBL10122303 0.73 TDP1 (0.42) LMNAEPHX2SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 WO disclosed
WO-2008147474-A2 SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2008-12-04 WO disclosed