SCHEMBL9723536

SCHEMBL9723536

C1=CSCS1.c1ccc(CN(Cc2ccccc2)c2ncncn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 5/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL7948937 0.71 EGFR (0.40) ADRA2AADRA2CADRA1AHRH1SLC6A3
SCHEMBL28549223 0.69 CYP1A2 (0.42) LMNATSHRCYP2C19CYP2D6TAAR1
SCHEMBL8422447 0.66 CYP2C19 (0.53) ADRA2AADRA2CADRA1AHRH1SLC6A3
SCHEMBL9325233 0.66 BCL6 (0.49) LMNAKDM4EMAPK1TSHRCYP2C19
SCHEMBL12609970 0.65 TSHR (0.64) ADRA2AADRA2CADRA1AHRH1SLC6A3
SCHEMBL11551005 0.65 ADRA2A (0.49) ADRA2AADRA2CADRA1AHRH1SLC6A3
Ethylbenzene SCHEMBL3682234 0.64 TP53 (0.64) SLC6A2SMN1; SMN2KDM4ETAAR1CYP1A2
SCHEMBL29957104 0.62 CXCR1 (0.52) ADRA2AADRA2CADRA1AHRH1SLC6A3
SCHEMBL8224031 0.62 ADRA2B (0.43) ADRA2AADRA2CADRA1AHRH1SLC6A3
SCHEMBL16628474 0.61 BCL6 (0.41) LMNASMN1; SMN2KDM4EMAPK1TSHR

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
US-5164442-A Polysiloxane, acrylic polymer SHIN-ETSU CHEMICAL COMPANY, LTD. (JP) 1992-11-17 US claimed
US-5164442-A Polysiloxane, acrylic polymer SHIN-ETSU CHEMICAL COMPANY, LTD. (JP) 1992-11-17 US disclosed