SCHEMBL20169735

SCHEMBL20169735

Cc1ccccc1-c1cnc(N)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.56
NPY5R Q15761 1/20 0.53
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR6 P50406 3/20 0.42
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
AOC3 Q16853 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 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
SCHEMBL4064880 0.81 MASP2 (0.60) MASP2DRD2HTR2AHTR6HTR7
Hydrochloric Acid SCHEMBL4302262 0.79 MASP2 (0.58) MASP2DRD2HTR2AHTR6HTR7
SCHEMBL30753500 0.79 MASP2 (0.44) MASP2NPY5RDRD2HTR2AHTR6
SCHEMBL13665045 0.78 MASP2 (0.72) MASP2NPY5RDRD2HTR2AHTR6
SCHEMBL13664538 0.75 DRD2 (0.49) MASP2DRD2HTR2AHTR6HTR7
SCHEMBL4064876 0.73 MASP2 (0.50) MASP2DRD2HTR2AHTR6HTR7
SCHEMBL725351 0.72 MASP2 (1.00) MASP2NPY5RAOC3RAB9ALTA4H
SCHEMBL20169733 0.72 ALDH1A1 (0.48) MASP2AOC3SMN1; SMN2HPGDALDH1A1
Hydrochloric Acid SCHEMBL4302259 0.71 MASP2 (0.49) MASP2DRD2HTR2AHTR6HTR7
SCHEMBL14291616 0.71 MASP2 (0.49) MASP2DRD2HTR2AHTR6HTR7

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