SCHEMBL7994841

SCHEMBL7994841

CCn1nc(C)cc1C(=O)NCCOc1cccc(Cn2ccnc2SCC(=O)OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STING1 Q86WV6 1/20 0.39
NTRK1 P04629 1/20 0.38
TP53 P04637 5/20 0.38
POLB P06746 5/20 0.38
RAB9A P51151 5/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36

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
SCHEMBL7994572 0.93 NTRK1 (0.40) LMNASMN1; SMN2STING1NTRK1TP53
SCHEMBL7983679 0.87 HPGD (0.40) LMNASMN1; SMN2STING1TP53POLB
SCHEMBL7984211 0.83 STING1 (0.43) STING1
SCHEMBL7983832 0.83 STING1 (0.40) LMNASTING1THRBKMT2AHSP90AA1
SCHEMBL7997825 0.80 STING1 (0.47) STING1
SCHEMBL7984304 0.79 STING1 (0.49) STING1RAB9ANPC1
SCHEMBL7983874 0.79 STING1 (0.43) LMNASMN1; SMN2STING1RAB9AHTT
SCHEMBL7983932 0.78 STING1 (0.42) STING1POLBKMT2A
SCHEMBL7995372 0.78 STING1 (0.42) STING1KMT2ATSHR
SCHEMBL7995743 0.76 STING1 (0.41) STING1KMT2A

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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed