SCHEMBL9852668

SCHEMBL9852668

[CH2]Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
GABRA2 P47869 7/20 0.36
GABRB2 P47870 7/20 0.36
GABRB3 P28472 6/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
PLAU P00749 1/20 0.33
IDO1 P14902 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
SCHEMBL2998348 0.77 PDE2A (0.36) PDE2AGABRA2GABRB2GABRB3ALDH1A1
SCHEMBL10443167 0.77 PDE2A (0.36) PDE2AGABRA2GABRB2GABRB3ALDH1A1
SCHEMBL18256224 0.77 PDE2A (0.36) PDE2AGABRA2GABRB2GABRB3ALDH1A1
SCHEMBL10414034 0.77 ALDH1A1 (0.39) PDE2AGABRA2GABRB2GABRB3ALDH1A1
SCHEMBL13487562 0.77 GABRB3 (0.46) PDE2AGABRA2GABRB2GABRB3
SCHEMBL319759 0.77 ALDH1A1 (0.42) PDE2AGABRA2GABRB2GABRB3ALDH1A1
Bromide SCHEMBL25372520 0.76 GABRB3 (0.38) PDE2AGABRA2GABRB2GABRB3ALDH1A1
SCHEMBL147630 0.75 PKM (0.35) PDE2AGABRA2GABRB2GABRB3ALDH1A1
SCHEMBL22657454 0.74 IDO1 (0.36) PDE2AIDO1
SCHEMBL5257141 0.74 CES2 (0.36) IDO1

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-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed