SCHEMBL5489954

SCHEMBL5489954

Cc1nc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)ccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
MAPK14 Q16539 3/20 0.42
SMN1; SMN2 Q16637 7/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 3/20 0.41
SMO Q99835 1/20 0.41
NPC1 O15118 5/20 0.41
MAPT P10636 5/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
TTR P02766 1/20 0.39
LMNA P02545 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
SCHEMBL5489952 0.77 MAPK14 (0.48) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL5495156 0.76 MAPK14 (0.49) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL6483771 0.72 MAPK14 (0.54) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL12764388 0.72 SMN1; SMN2 (0.57) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL4543576 0.71 RAB9A (0.44) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL5480980 0.71 MAPK14 (0.46) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL5489948 0.71 MAPK14 (0.48) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL4552138 0.71 KCNQ3 (0.50) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL12764365 0.70 SMN1; SMN2 (0.58) MAPK14SMN1; SMN2RAB9AALDH1A1SMO
SCHEMBL4541488 0.70 MAPK14 (0.44) MAPK14SMN1; SMN2RAB9AALDH1A1SMO

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