SCHEMBL9575262

SCHEMBL9575262

COc1ccc(CC2=NCCN2)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.83
HTR1B P28222 4/20 0.68
HTR1D P28221 6/20 0.64
ADRA2A P08913 4/20 0.62
ADRA2C P18825 4/20 0.62
ADRA2B P18089 3/20 0.62
ADRA1D P25100 3/20 0.62
ADRA1A P35348 3/20 0.62
ADRA1B P35368 3/20 0.62
TAAR1 Q96RJ0 4/20 0.62
CYP2D6 P10635 2/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.56
NISCH Q9Y2I1 1/20 0.54
RAD52 P43351 1/20 0.54

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
SCHEMBL5803714 0.91 PTGIR (1.00) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL14599595 0.83 HTR1D (0.63) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL3169344 0.83 PTGIR (0.64) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL4629792 0.80 PTGIR (0.57) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL4037274 0.79 HTR1D (0.71) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL9393147 0.77 HTR1D (0.69) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL2869241 0.77 HTR1D (0.69) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL953972 0.77 RAD52 (0.82) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL953504 0.77 HTR1B (0.60) PTGIRHTR1BHTR1DADRA2AADRA2C
SCHEMBL4992378 0.77 ALDH1A1 (0.61) PTGIRHTR1BHTR1DADRA2AADRA2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331507-B1 POLYVINYL CHLORIDE PLASTISOL COMPOSITION ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-05-19 EP disclosed
US-4977201-A Blended with modified epoxy resin, blocked isocyanate, latent curing for resin as tackifier, automobile undercoatings ASAHI DENKA KOGYO K.K. (JP) 1990-12-11 US disclosed
EP-0331507-A1 Polyvinyl chloride plastisol composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1989-09-06 EP disclosed
US-4411699-A AMIDINE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1983-10-25 US disclosed