SCHEMBL8055077

SCHEMBL8055077

ClCCn1nnnc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
POLB P06746 1/20 0.68
HTT P42858 1/20 0.68
HSD11B1 P28845 4/20 0.59
P2RX7 Q99572 3/20 0.55
HDAC6 Q9UBN7 1/20 0.52
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 4/20 0.52
CYP1A2 P05177 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL12761225 0.85 ALDH1A1 (0.62) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL5799815 0.82 ALDH1A1 (0.68) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL4408289 0.82 ALDH1A1 (0.71) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL10635287 0.82 ALDH1A1 (0.68) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL28005130 0.81 ALDH1A1 (0.66) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL4403732 0.80 P2RX7 (0.81) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL4409130 0.79 ALDH1A1 (0.64) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL4407364 0.78 ALDH1A1 (0.62) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL13625680 0.78 ALDH1A1 (0.62) ALDH1A1POLBHTTHSD11B1P2RX7
SCHEMBL8653064 0.78 ALDH1A1 (0.62) ALDH1A1POLBHTTHSD11B1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000059895-A1 PESTICIDAL TETRAZOLE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-10-12 WO disclosed
US-6020355-A INSECTICIDE, MITICIDE MACDERMID AGRICULTURAL SOLUTIONS, INC. 2000-02-01 US disclosed
WO-1999023080-A1 PESTICIDAL TETRAZOLE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-05-14 WO disclosed
US-5869504-A INSECTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-02-09 US disclosed