SCHEMBL5480980

SCHEMBL5480980

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
SMO Q99835 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TTR P02766 1/20 0.44
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
KCNQ3 O43525 1/20 0.42

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
SCHEMBL4541488 0.83 MAPK14 (0.44) MAPK14SMONPC1RAB9AMAPT
SCHEMBL4543576 0.82 RAB9A (0.44) MAPK14SMONPC1RAB9AMAPT
SCHEMBL4552127 0.82 KCNQ3 (0.51) MAPK14SMONPC1RAB9AMAPT
SCHEMBL4552138 0.82 KCNQ3 (0.50) MAPK14SMONPC1RAB9AMAPT
SCHEMBL4552351 0.80 MAPK14 (0.44) MAPK14SMONPC1RAB9AMAPT
SCHEMBL4541434 0.80 MAPK14 (0.43) MAPK14SMONPC1RAB9AMAPT
SCHEMBL5490598 0.80 CRHR1 (0.50) MAPK14SMONPC1RAB9AMAPT
SCHEMBL14534694 0.79 MAPK14 (0.45) MAPK14SMONPC1RAB9AMAPT
SCHEMBL5489512 0.79 CRHR1 (0.49) MAPK14SMONPC1RAB9AMAPT
SCHEMBL15074587 0.79 PLAU (0.57) MAPK14PLAU

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