SCHEMBL11292840

SCHEMBL11292840

Nc1nc(N)nc(N(Cc2ccccc2)Cc2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
NOS1 P29475 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
AOC3 Q16853 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DHFR P00374 2/20 0.39
MPO P05164 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
SCHEMBL20844355 0.91 MAPT (0.63) MAPTNOS1SMN1; SMN2TSHRAOC3
SCHEMBL8059710 0.85 NOS1 (0.42) MAPTNOS1SMN1; SMN2TSHRPOLB
SCHEMBL7754258 0.84 NPSR1 (0.57) SMN1; SMN2ADORA3ADORA2AADORA2BADORA1
SCHEMBL14869399 0.81 SMN1; SMN2 (0.58) MAPTSMN1; SMN2TSHRAOC3RAB9A
SCHEMBL6169125 0.77 ALDH1A1 (0.58) MAPTNOS1CYP2D6NPC1ALDH1A1
SCHEMBL8633855 0.76 TSHR (0.42) SMN1; SMN2TSHRAOC3CYP2C19ALDH1A1
SCHEMBL3393676 0.76 TSHR (0.42) MAPTSMN1; SMN2TSHRADORA3AOC3
SCHEMBL11668680 0.76 GAA (0.50) MAPTSMN1; SMN2TSHRAOC3CYP2C19
SCHEMBL11402745 0.75 ALDH1A1 (0.51) MAPTNOS1SMN1; SMN2TSHRAOC3
SCHEMBL24358537 0.74 CHRNA7 (0.52) MAPTSMN1; 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
EP-0006206-B1 MELAMINE GROUP-CONTAINING ACRYLATES AND/OR METHACRYLATES, POLYMERIZABLE AND CURABLE COMPOSITION THEREOF, MOLDED ARTICLE MADE OF THE POLYMERIZED AND CURED COMPOSITION AND RESIN MOLDED ARTICLE COATED WITH THE COMPOSITION TEIJIN LIMITED (JP) 1982-11-24 EP disclosed
EP-0006206-A1 Melamine group-containing acrylates and/or methacrylates, polymerizable and curable composition thereof, molded article made of the polymerized and cured composition and resin molded article coated with the composition TEIJIN LIMITED (JP) 1980-01-09 EP disclosed