SCHEMBL1099175

SCHEMBL1099175

c1cc2c3c(n1)-c1cncnc1C3CCC2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CYP17A1 P05093 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL1099599 0.72 ADRA1A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1099603 0.68 ADRA2A (0.41) CHRNB2CHRNA4ADRA2AADRA1DADRA1A
SCHEMBL1102391 0.62
SCHEMBL9538574 0.61 HRH3 (0.34) CHRNB2CHRNA4SIGMAR1
SCHEMBL12015843 0.61 SIGMAR1 (0.31) SIGMAR1
SCHEMBL25381211 0.60
SCHEMBL10297582 0.58 CXCR4 (0.32) CHRNB2CHRNA4
SCHEMBL13518618 0.58 CHRNB2 (0.30) CHRNB2CHRNA4
SCHEMBL9537257 0.57 CA1 (0.35) SIGMAR1
SCHEMBL5048101 0.56 CHRNB2 (0.55) CHRNB2CHRNA4SIGMAR1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20090174326-A1 POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed