SCHEMBL4411407

SCHEMBL4411407

CNc1cccc(/N=N/c2cccc(NC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
NOS1 P29475 1/20 0.42
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NSD2 O96028 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
APP P05067 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
SCHEMBL4411408 1.00 TSHR (0.46) TSHRNOS1MAPTALDH1A1NPC1
SCHEMBL29566094 1.00 TSHR (0.46) TSHRNOS1MAPTALDH1A1NPC1
SCHEMBL22328162 0.87 NPC1 (0.53) NOS1MAPTALDH1A1NPC1RAB9A
SCHEMBL7047412 0.84 TSHR (0.44) TSHRNOS1MAPTALDH1A1TDP1
SCHEMBL21131177 0.82 TSHR (0.42) TSHRNOS1MAPTTDP1CYP1A1
SCHEMBL628205 0.79 TSHR (0.61) TSHRMAPTALDH1A1RAB9AKMT2A
SCHEMBL11527566 0.77 TSHR (0.38) TSHRNOS1MAPTAPPGRIN2D
SCHEMBL15959086 0.77 EGFR (0.43) TSHRNOS1CA12CA2CA9
Hydrochloric Acid SCHEMBL5151093 0.76 TSHR (0.58) TSHRMAPTALDH1A1RAB9AKMT2A
SCHEMBL28350289 0.76 IDO1 (0.46) TSHRNOS1MAPTALDH1A1TDP1

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-20090317900-A1 CHROMATOGRAPHY DEVICE AISIN SEIKI KABUSHIKI KAISHA (JP) 2009-12-24 US disclosed