SCHEMBL5486398

SCHEMBL5486398

Cc1ncccc1C(=O)Nc1ccc(NC2CCOCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
MAPK3 P27361 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4B Q07343 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PTBP1 P26599 1/20 0.43
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5486419 0.80 CYP2C19 (0.58) RAB9ANPC1KCNQ3KCNQ2ALDH1A1
SCHEMBL4064076 0.75 MEN1 (0.58) CYP1A2RAB9ANPC1KCNQ3KCNQ2
SCHEMBL14534679 0.74 KCNQ3 (0.43) KCNQ3KCNQ2MAPK3MAPK1
SCHEMBL4551615 0.73 PDE4B (0.45) CYP1A2RAB9AKCNQ3KCNQ2MAPK3
SCHEMBL4551616 0.73 MAPK14 (0.49) KCNQ3KCNQ2PDE4B
SCHEMBL23245969 0.73 KCNQ3 (0.45) KCNQ3KCNQ2MAPK3MAPK1FYN
SCHEMBL14534694 0.72 MAPK14 (0.45) RAB9ANPC1KCNQ3KCNQ2TP53
SCHEMBL4414329 0.72 BRAF (0.43) KCNQ3KCNQ2
SCHEMBL4551772 0.72 PDE4B (0.43) CYP1A2RAB9ANPC1KCNQ3KCNQ2
SCHEMBL5490015 0.71 RAF1 (0.52) SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed