SCHEMBL4551772

SCHEMBL4551772

Cc1ncc(Nc2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NC2CCOCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MAPK1 P28482 2/20 0.40
MAPK3 P27361 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 2/20 0.39
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
PLAU P00749 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 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
SCHEMBL4551615 0.95 PDE4B (0.45) PDE4BRAB9AMAPTKCNQ3KCNQ2
SCHEMBL4552137 0.94 KCNQ3 (0.46) NPC1RAB9AMAPTKCNQ3KCNQ2
SCHEMBL4552126 0.94 KCNQ3 (0.46) NPC1RAB9AMAPTKCNQ3KCNQ2
SCHEMBL4551773 0.91 MAPK14 (0.45) PDE4BNPC1RAB9AMAPTKCNQ3
SCHEMBL14534694 0.90 MAPK14 (0.45) PDE4BNPC1RAB9AMAPTKCNQ3
SCHEMBL4551616 0.86 MAPK14 (0.49) PDE4BKCNQ3KCNQ2MAPK14PLAU
SCHEMBL4551650 0.85 PDE4B (0.40) PDE4BNPC1RAB9AMAPTMAPK1
SCHEMBL4543574 0.85 RAB9A (0.43) NPC1RAB9AMAPTKCNQ3KCNQ2
SCHEMBL5489508 0.85 CRHR1 (0.49) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL5490933 0.85 PDE4B (0.41) PDE4BNPC1RAB9AMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed