SCHEMBL6265380

SCHEMBL6265380

NC(=O)C(=Cc1ccc(N2CCCC2)cc1)C(=O)N(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6247880 0.84 RECQL (0.43) LMNAMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL6246748 0.81 GRK2 (0.40) LMNAMAPTALDH1A1HTTKDM4E
SCHEMBL6248753 0.80 EPHX1 (0.37) LMNAMAPTALDH1A1
SCHEMBL6246353 0.80 RORC (0.40)
SCHEMBL6246114 0.78 ALDH1A1 (0.48) LMNAMAPTHPGDALDH1A1POLB
SCHEMBL6248564 0.76 MAPT (0.43) MAPTTP53POLB
SCHEMBL6248097 0.76 PTGS1 (0.44) LMNAMAPTSMN1; SMN2POLBHTT
SCHEMBL6248665 0.76 EPHX2 (0.47) LMNAMAPTHPGDALDH1A1HTT
SCHEMBL6246207 0.75 LMNA (0.34) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL5142394 0.74 RAB9A (0.58) LMNAMAPTALDH1A1SMN1; SMN2POLB

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-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 WO claimed