SCHEMBL5488200

SCHEMBL5488200

CON(Nc1cc(F)cc(N2CCCC2)c1)C(=O)c1cccnc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 8/20 0.37
RAB9A P51151 5/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
TP53 P04637 1/20 0.34
MCL1 Q07820 1/20 0.34
AHR P35869 1/20 0.34
GFER P55789 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MRGPRX4 Q96LA9 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
SCHEMBL5495153 0.79 ALDH1A1 (0.45) ALDH1A1MAPK14SMOL3MBTL1MAPT
SCHEMBL5489948 0.73 MAPK14 (0.48) ALDH1A1MAPK14SMOL3MBTL1MAPT
SCHEMBL307472 0.63 P2RX7 (0.50) ALDH1A1L3MBTL1MAPTLMNAPOLB
SCHEMBL6883040 0.62 RAB9A (0.67) ALDH1A1L3MBTL1MAPTRAB9ALMNA
SCHEMBL4164590 0.61 HTT (0.54) ALDH1A1L3MBTL1RAB9ALMNAMEN1
SCHEMBL5480980 0.61 MAPK14 (0.46) ALDH1A1MAPK14SMOL3MBTL1MAPT
SCHEMBL38658667 0.60 L3MBTL1 (0.62) ALDH1A1L3MBTL1MAPTLMNAMEN1
SCHEMBL30397636 0.60 L3MBTL1 (0.62) ALDH1A1L3MBTL1MAPTLMNAMEN1
SCHEMBL12764365 0.60 SMN1; SMN2 (0.58) ALDH1A1MAPK14SMOL3MBTL1MAPT
SCHEMBL1248162 0.60 P2RX7 (0.66) ALDH1A1L3MBTL1LMNAPOLBP2RX7

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