SCHEMBL5774

SCHEMBL5774

[CH]c1ccc(-c2nnn(C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 2/20 0.41
LTA4H P09960 2/20 0.39
PPARA Q07869 1/20 0.38
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 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
SCHEMBL5775 0.82 LTA4H (0.51) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2611134 0.80 KMT2A (0.54) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL1674237 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8137879 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL851750 0.80 NPC1 (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2611131 0.80 LMNA (0.49) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2644715 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5043401 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL18461076 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL344042 0.79 RAB9A (0.53) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed