SCHEMBL4552137

SCHEMBL4552137

Cc1ncc(Nc2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NC2CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.41
SYK P43405 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
CRHR1 P34998 1/20 0.39
LCK P06239 2/20 0.39
MAPK14 Q16539 2/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4552126 0.99 KCNQ3 (0.46) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4551772 0.94 PDE4B (0.43) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4552138 0.90 KCNQ3 (0.50) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4551615 0.89 PDE4B (0.45) KCNQ3KCNQ2RAB9AMAPTALDH1A1
SCHEMBL4543574 0.89 RAB9A (0.43) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4552127 0.89 KCNQ3 (0.51) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL5489508 0.89 CRHR1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4541485 0.88 MAPT (0.42) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL5487264 0.88 CRHR1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5488461 0.88 CRHR1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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