SCHEMBL14408908

SCHEMBL14408908

CCN(Cc1ccc(Cl)nc1)/C(=C\[N+](=O)[O-])N(C)C(=O)OCCl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CASP6 P55212 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
NPC1 O15118 1/20 0.32
MDM2 Q00987 1/20 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
SCHEMBL5394145 1.00 MAPT (0.34) MAPTRAB9AL3MBTL1ALDH1A1CHRNB2
SCHEMBL5394151 1.00 MAPT (0.34) MAPTRAB9AL3MBTL1ALDH1A1CHRNB2
SCHEMBL14408909 0.86 L3MBTL1 (0.36) MAPTRAB9AL3MBTL1ALDH1A1CHRNB2
SCHEMBL14408910 0.86 ALDH1A1 (0.33) MAPTRAB9AL3MBTL1ALDH1A1CHRNB2
SCHEMBL7657443 0.84 CHRNB2 (0.38) MAPTALDH1A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL7657366 0.81 CHRNB2 (0.36) MAPTALDH1A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL10028752 0.78 ALDH1A1 (0.41) MAPTRAB9AL3MBTL1ALDH1A1CHRNB2
SCHEMBL7671788 0.77 CHRNB2 (0.39) MAPTALDH1A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL7754488 0.77 CHRNB2 (0.39) MAPTALDH1A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL7672435 0.75 CHRNB2 (0.41) MAPTALDH1A1CHRNB2CHRNA4SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271184-B2 Acyclic and cyclic guanidine- and acetamidine derivatives, their preparation and their use as pesticides, esp. as parasiticides NOVARTIS ANIMAL HEALTH US, INC. (US) 2007-09-18 US disclosed
US-7271184-B2 Acyclic and cyclic guanidine- and acetamidine derivatives, their preparation and their use as pesticides, esp. as parasiticides NOVARTIS ANIMAL HEALTH US, INC. (US) 2007-09-18 US disclosed