SCHEMBL20169745

SCHEMBL20169745

Cc1cccc(-c2cnc(N)[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.62
NPY5R Q15761 1/20 0.57
XDH P47989 1/20 0.49
RAB9A P51151 3/20 0.46
ADORA1 P30542 1/20 0.44
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAP4K4 O95819 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
SCN4A P35499 1/20 0.42

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
SCHEMBL4056971 0.82 MASP2 (0.67) MASP2RAB9AMETAP2LTA4HALDH1A1
Hydrochloric Acid SCHEMBL4053943 0.81 MASP2 (0.65) MASP2RAB9AMETAP2LTA4HALDH1A1
SCHEMBL19501567 0.79 MASP2 (0.62) MASP2ADORA1METAP2LTA4HMAP4K4
SCHEMBL20169739 0.79 MASP2 (0.62) MASP2NPY5RMETAP2LTA4HSCN4A
SCHEMBL16324218 0.79 NPY5R (0.60) MASP2NPY5RADORA1LTA4HKMT2A
SCHEMBL18122015 0.78 NPY5R (0.73) NPY5RSCN2A
SCHEMBL725351 0.77 MASP2 (1.00) MASP2NPY5RRAB9ALTA4HSCN9A
SCHEMBL19513444 0.76 MASP2 (0.57) MASP2NPY5RXDHADORA1IDO1
SCHEMBL13664752 0.75 MASP2 (0.53) MASP2LTA4HSCN4ASCN9ASCN3A
SCHEMBL18122012 0.75 NPY5R (0.68) NPY5RRAB9ANPC1SCN2A

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-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed