SCHEMBL6270946

SCHEMBL6270946

O=C1[N]NN(CCc2ccc(Cl)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
CNR1 P21554 1/20 0.35
LMNA P02545 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL6273466 0.82 DAO (0.49) DAOALDH1A1TAAR1GPR84
SCHEMBL6272248 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNA
SCHEMBL14677902 0.65 MGLL (0.66) DAOALDH1A1TAAR1ALDH2ALDH3A1
SCHEMBL7785772 0.65 DAO (0.48) DAOALDH1A1TAAR1PTGS2LMNA
SCHEMBL7628912 0.65 ALDH1A1 (0.51) DAOALDH1A1TSHRHSD17B10TAAR1
SCHEMBL27825165 0.64 TSHR (0.57) DAOALDH1A1TSHRHSD17B10TAAR1
SCHEMBL7793890 0.63 CA1 (0.60) DAOALDH1A1HSD17B10TAAR1LMNA
SCHEMBL2135113 0.62 TAAR1 (0.68) DAOTAAR1LMNA
SCHEMBL6931122 0.62 KAT2B (0.53) DAOALDH1A1TAAR1ALDH2ALDH3A1
SCHEMBL18669052 0.61 CASP3 (0.65) ALDH1A1ALDH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed