SCHEMBL5489948

SCHEMBL5489948

Cc1ncccc1C(=O)NNC(=O)c1cc(F)cc(N2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
SMO Q99835 1/20 0.48
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
P2RX7 Q99572 1/20 0.42
KAT6A Q92794 6/20 0.41
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TTR P02766 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5495153 0.85 ALDH1A1 (0.45) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL5480980 0.74 MAPK14 (0.46) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL5489952 0.74 MAPK14 (0.48) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL5495156 0.73 MAPK14 (0.49) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL5488200 0.73 ALDH1A1 (0.39) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL4551331 0.72 MAPK14 (0.71) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL12764388 0.71 SMN1; SMN2 (0.57) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL5489954 0.71 GRM5 (0.44) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL5488208 0.71 MAPK14 (0.49) MAPK14SMOALDH1A1MAPTRAB9A
SCHEMBL4551323 0.71 MAPK14 (0.72) MAPK14SMOALDH1A1MAPTRAB9A

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed