SCHEMBL14367453

SCHEMBL14367453

N/C(=N\O)c1ccc(OCCCN2CCN(CCCOc3ccc(/C(N)=N/O)cc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
GAA P10253 2/20 0.65
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
DRD2 P14416 1/20 0.52
HRH3 Q9Y5N1 8/20 0.51
HRH2 P25021 4/20 0.51
HRH1 P35367 4/20 0.51
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1714784 1.00 RAB9A (0.65) RAB9AGAANPC1LMNATP53
SCHEMBL1714789 1.00 RAB9A (0.65) RAB9AGAANPC1LMNATP53
Hydrochloric Acid SCHEMBL1715673 0.98 RAB9A (0.63) RAB9AGAANPC1LMNATP53
Hydrochloric Acid SCHEMBL1715672 0.98 RAB9A (0.63) RAB9AGAANPC1LMNATP53
SCHEMBL7300668 0.94 RAB9A (0.62) RAB9AGAANPC1LMNATP53
SCHEMBL7292450 0.93 HRH3 (0.61) RAB9AGAAHRH3KDM4EMAOB
SCHEMBL7293962 0.90 HRH3 (0.62) RAB9AGAANPC1LMNATP53
SCHEMBL13403634 0.87 GAA (0.53) RAB9AGAANPC1LMNATP53
SCHEMBL2338934 0.87 GAA (0.53) RAB9AGAANPC1LMNATP53
SCHEMBL2338942 0.87 GAA (0.53) RAB9AGAANPC1LMNATP53

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-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed