SCHEMBL5495153

SCHEMBL5495153

Cc1ncccc1C(=O)NNc1cc(F)cc(N2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 9/20 0.43
RAB9A P51151 7/20 0.43
P2RX7 Q99572 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 2/20 0.39
MCL1 Q07820 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 3/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5489948 0.85 MAPK14 (0.48) ALDH1A1MAPTRAB9AP2RX7MAPK14
SCHEMBL5488200 0.79 ALDH1A1 (0.39) ALDH1A1MAPTRAB9AP2RX7MAPK14
SCHEMBL6883040 0.68 RAB9A (0.67) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL5480980 0.66 MAPK14 (0.46) ALDH1A1MAPTRAB9AMAPK14SMO
SCHEMBL4541485 0.66 MAPT (0.42) ALDH1A1MAPTRAB9AMAPK14KMT2A
SCHEMBL12764365 0.65 SMN1; SMN2 (0.58) ALDH1A1MAPTRAB9AMAPK14SMO
SCHEMBL5495156 0.65 MAPK14 (0.49) ALDH1A1MAPTRAB9AMAPK14SMO
SCHEMBL12764388 0.65 SMN1; SMN2 (0.57) ALDH1A1MAPTRAB9AMAPK14SMO
SCHEMBL5489952 0.64 MAPK14 (0.48) ALDH1A1MAPTRAB9AMAPK14SMO
SCHEMBL4164590 0.64 HTT (0.54) ALDH1A1RAB9AP2RX7KMT2AMEN1

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