SCHEMBL17100710

SCHEMBL17100710

Cc1ccccc1CN1CCN(c2nc(Cc3ccc(F)c(F)c3)no2)CC1.Cc1ccccc1CN1CCN(c2nc(Cc3ccc(F)c(F)c3)no2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CLPP Q16740 1/20 0.41
CYP2A13 Q16696 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL17100853 1.00 NPSR1 (0.52) NPSR1LMNAKDM4EMAPTTP53
SCHEMBL17100858 0.87 LMNA (0.57) NPSR1LMNAKDM4EMAPTKMT2A
SCHEMBL17100661 0.86 LMNA (0.55) NPSR1LMNAKDM4EMAPTKMT2A
SCHEMBL17100723 0.86 ALDH1A1 (0.51) NPSR1LMNAKDM4EMAPTKMT2A
SCHEMBL17100651 0.83 SMN1; SMN2 (0.46) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL17100623 0.81 KMT2A (0.57) NPSR1LMNAKDM4EMAPTKMT2A
SCHEMBL17100600 0.77 NPSR1 (0.45) NPSR1LMNAKDM4EMAPTTP53
SCHEMBL17100613 0.77 ABCC1 (0.42) RAB9ASMN1; SMN2
SCHEMBL17100743 0.77 ALDH1A1 (0.56) LMNAKDM4EMAPTKMT2ARAB9A
SCHEMBL17115076 0.76 SOS1 (0.44) CLPP

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
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed