SCHEMBL27964366

SCHEMBL27964366

CCC(=O)c1nccnc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
P2RX7 Q99572 1/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALOX15 P16050 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL2981856 0.81 GSK3B (0.41) P2RX7MAPTKDM4EDPP4KCNH2
SCHEMBL14683977 0.81 P2RX7 (0.34) P2RX7MAPTKDM4EDPP4KCNH2
Bromide SCHEMBL5569174 0.79 GSK3B (0.39) P2RX7MAPTKDM4EDPP4KCNH2
SCHEMBL20436419 0.79 LMNA (0.40) P2RX7MAPTKDM4ETDP1DPP4
SCHEMBL11715908 0.77 GAA (0.47) MAPTKDM4EKMT2AMEN1L3MBTL1
SCHEMBL13181119 0.77 PRKCI (0.45) KDM4ETDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL31717707 0.77 MAPT (0.33) MAPTKDM4ETDP1KMT2AMEN1
SCHEMBL10501687 0.77 SMN1; SMN2 (0.34) MAPTKDM4ETDP1KMT2AMEN1
SCHEMBL27864943 0.77 SMN1; SMN2 (0.36) MAPTKDM4ETDP1KMT2AMEN1
SCHEMBL5518273 0.77 KDM4E (0.36) P2RX7MAPTKDM4EDPP4KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103797000-A Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO LTD 2014-05-14 CN disclosed
CN-102292826-A Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound 2011-12-21 CN disclosed