SCHEMBL8739989

SCHEMBL8739989

c1ccc2c(c1)c1ccccc1[n+]1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.50
CSNK2B P67870 3/20 0.50
CSNK2A1 P68400 3/20 0.50
ACHE P22303 2/20 0.36
CYP1A2 P05177 1/20 0.35
BAD Q92934 1/20 0.34
CFTR P13569 4/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPRT1 P00492 1/20 0.33

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
SCHEMBL8521833 0.87 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1ACHECFTR
SCHEMBL8315793 0.75 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1ACHECYP1A2
SCHEMBL12775850 0.69 CSNK2A2 (0.61) CSNK2A2CSNK2BCSNK2A1CYP1A2MAPT
SCHEMBL11921342 0.69 CSNK2A2 (0.96) CSNK2A2CSNK2BCSNK2A1CFTRHTT
SCHEMBL7228459 0.69 CSNK2A2 (0.96) CSNK2A2CSNK2BCSNK2A1ACHECYP1A2
Hydrochloric Acid SCHEMBL7230124 0.68 CSNK2A2 (0.93) CSNK2A2CSNK2BCSNK2A1ACHECYP1A2
SCHEMBL11637101 0.67 ALDH1A1 (0.44) CSNK2A2CSNK2BCSNK2A1ACHECYP1A2
Triphenylene SCHEMBL25597 0.67 HPRT1 (0.57) CYP1A2SMN1; SMN2HPRT1
Triphenylene SCHEMBL311118 0.67 HPRT1 (0.57) CYP1A2SMN1; SMN2HPRT1
SCHEMBL30977781 0.67 HPRT1 (0.57) CYP1A2SMN1; SMN2HPRT1

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-8318894-B2 Charged polymers and their uses in electronic devices MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-27 US disclosed
US-8318894-B2 Charged polymers and their uses in electronic devices MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-27 US disclosed
US-20120130025-A1 CHARGED POLYMERS AND THEIR USES IN ELECTRONIC DEVICES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-05-24 US disclosed