SCHEMBL4552127

SCHEMBL4552127

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(NC2CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
MAPK14 Q16539 4/20 0.43
SMO Q99835 1/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
LCK P06239 2/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BTK Q06187 1/20 0.40
FASN P49327 1/20 0.39

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
SCHEMBL4552138 0.99 KCNQ3 (0.50) KCNQ3KCNQ2MAPK14SMORAB9A
SCHEMBL14534694 0.94 MAPK14 (0.45) KCNQ3KCNQ2MAPK14SMORAB9A
SCHEMBL4551773 0.94 MAPK14 (0.45) KCNQ3KCNQ2MAPK14SMORAB9A
SCHEMBL14534471 0.93 MAPK14 (0.50) KCNQ3KCNQ2MAPK14
SCHEMBL4551616 0.90 MAPK14 (0.49) KCNQ3KCNQ2MAPK14
SCHEMBL4552126 0.90 KCNQ3 (0.46) KCNQ3KCNQ2MAPK14RAB9ANPC1
SCHEMBL4552137 0.89 KCNQ3 (0.46) KCNQ3KCNQ2MAPK14RAB9ANPC1
SCHEMBL4541488 0.89 MAPK14 (0.44) KCNQ3KCNQ2MAPK14SMORAB9A
SCHEMBL5490598 0.88 CRHR1 (0.50) KCNQ3KCNQ2MAPK14SMORAB9A
SCHEMBL4543576 0.88 RAB9A (0.44) KCNQ3KCNQ2MAPK14SMORAB9A

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