SCHEMBL4552126

SCHEMBL4552126

Cc1ncc(Nc2cc(F)cc(N3CCCC3)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 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.40
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
SETD2 Q9BYW2 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SYK P43405 1/20 0.38
FLT3 P36888 1/20 0.38
FASN P49327 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL4552137 0.99 KCNQ3 (0.46) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4551772 0.94 PDE4B (0.43) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4551615 0.90 PDE4B (0.45) KCNQ3KCNQ2RAB9AMAPTALDH1A1
SCHEMBL4552127 0.90 KCNQ3 (0.51) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4552138 0.89 KCNQ3 (0.50) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL4541485 0.89 MAPT (0.42) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL5490596 0.88 CRHR1 (0.50) NPC1RAB9AMAPTCRHR1LCK
SCHEMBL4543574 0.88 RAB9A (0.43) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL5489508 0.88 CRHR1 (0.49) NPC1RAB9AMAPTALDH1A1CRHR1
SCHEMBL5488461 0.87 CRHR1 (0.47) NPC1RAB9AMAPTALDH1A1CRHR1

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