SCHEMBL1099172

SCHEMBL1099172

c1ccc2c(c1)-c1cccc3c1C2CNC3

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.66
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.53
TAAR1 Q96RJ0 2/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
KIF11 P52732 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11007041 0.79 HTR2A (0.76) HTR2AMEN1CYP3A4CYP2D6KMT2A
Hydrochloric Acid SCHEMBL29960806 0.78 HTR2A (0.97) HTR2AMEN1CYP3A4CYP2D6KMT2A
SCHEMBL6391686 0.76 HTR2A (0.60) HTR2AMEN1CYP3A4CYP2D6KMT2A
SCHEMBL11066183 0.72 NPSR1 (0.49) HTR2AMEN1CYP3A4CYP2D6KMT2A
SCHEMBL1099491 0.70 HTR2A (0.35) HTR2ACYP2D6DRD2
SCHEMBL1087686 0.70 GID4 (0.43) MEN1CYP2D6KMT2ATAAR1DRD2
SCHEMBL15096889 0.69 CYP3A4 (1.00) HTR2AMEN1CYP3A4CYP2D6KMT2A
SCHEMBL1076323 0.69 CYP3A4 (1.00) HTR2AMEN1CYP3A4CYP2D6KMT2A
SCHEMBL3432030 0.69 HTR2A (0.56) HTR2AMEN1CYP3A4CYP2D6KMT2A
SCHEMBL1099557 0.69 HTR2A (0.34) HTR2ADRD2

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 6 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-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-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
US-20090174326-A1 POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed