SCHEMBL22015071

SCHEMBL22015071

O=C(O)CC[n+]1cc(-c2ccncn2)sn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.34
FAAH O00519 1/20 0.34
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
SCD O00767 3/20 0.32
SCD5 Q86SK9 3/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
P2RX7 Q99572 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
BCHE P06276 1/20 0.31
CAMKK2 Q96RR4 1/20 0.30

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
SCHEMBL22014610 0.85 CYP3A4 (0.35) HTTKMT2ACYP2D6HSD17B10CYP3A4
SCHEMBL22015230 0.77 ALDH1A1 (0.36) TBXA2RHTTCYP2D6TSHRHSD17B10
SCHEMBL20753477 0.72 CAMKK2 (0.36) TBXA2RFAAHSCDSCD5CYP2D6
Hydrochloric Acid SCHEMBL26606731 0.72 CAMKK2 (0.36) TBXA2RFAAHSCDSCD5CYP2D6
SCHEMBL22015056 0.72 LTA4H (0.37) FAAHCYP2D6TSHRHSD17B10
Trifluoroacetic Acid SCHEMBL21963672 0.69 CYP2D6 (0.31) CYP2D6TSHRHSD17B10
SCHEMBL22015232 0.64 ALDH1A1 (0.34) TBXA2RHTTKMT2ATSHR
Hydrochloric Acid SCHEMBL21963932 0.64 ALDH1A1 (0.34) TBXA2RHTTKMT2ATSHR
SCHEMBL22015234 0.64 ALDH1A1 (0.39) PKMKMT2AHSD17B10
SCHEMBL11889639 0.63 KDM4E (0.63) KMT2A

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
WO-2020099407-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed