SCHEMBL4552138

SCHEMBL4552138

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(NC2CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MAPK14 Q16539 4/20 0.43
SMO Q99835 1/20 0.43
MAPT P10636 5/20 0.43
LCK P06239 2/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
GSK3B P49841 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL4552127 0.99 KCNQ3 (0.51) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL4551773 0.94 MAPK14 (0.45) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL14534694 0.94 MAPK14 (0.45) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL14534471 0.92 MAPK14 (0.50) KCNQ3KCNQ2MAPK14
SCHEMBL4552137 0.90 KCNQ3 (0.46) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL4551616 0.89 MAPK14 (0.49) KCNQ3KCNQ2MAPK14
SCHEMBL4552126 0.89 KCNQ3 (0.46) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL4543576 0.89 RAB9A (0.44) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL5489512 0.89 CRHR1 (0.49) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL4541488 0.88 MAPK14 (0.44) KCNQ3KCNQ2NPC1RAB9ASMN1; 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 4 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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed