SCHEMBL21733174

SCHEMBL21733174

CCn1ncc2cccc(Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.54
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
PRMT5 O14744 1/20 0.41
HASPIN Q8TF76 1/20 0.40
RECQL P46063 1/20 0.39
HTR2B P41595 1/20 0.37
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMO O15229 1/20 0.35
PSMB8 P28062 1/20 0.35
ESR1 P03372 1/20 0.35
NOS1 P29475 1/20 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
SCHEMBL28329487 0.79 ADRA2A (0.48) ADRA2AHTR2AHTR2CPRMT5RECQL
SCHEMBL31130304 0.79 GRM2 (0.44) ADRA2AHASPINRECQLKMONOS1
SCHEMBL7571970 0.79 HASPIN (0.47) ADRA2AHTR2AHTR2CHASPINRECQL
SCHEMBL30848002 0.79 HASPIN (0.47) ADRA2AHTR2AHTR2CHASPINRECQL
SCHEMBL31495782 0.79 CYP11B1 (0.42) ADRA2AHTR2AHTR2CHASPINRECQL
SCHEMBL31750297 0.76 HTR2A (0.47) ADRA2AHTR2AHTR2CHASPINHTR2B
SCHEMBL19152608 0.76 PRMT5 (0.49) ADRA2AHTR2AHTR2CPRMT5PSMB8
SCHEMBL31130114 0.75 XDH (0.41) ADRA2AHTR2AHTR2CHASPINRECQL
SCHEMBL103561 0.75 ADRA2A (0.44) ADRA2AHTR2AHTR2CPRMT5RECQL
Ammonia Solution, Strong SCHEMBL5028583 0.74 HASPIN (0.42) HTR2AHTR2CHASPINRECQLHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed