Sugi Predict

Sugi Predict / Compounds / SCHEMBL5799693

SCHEMBL5799693

SCHEMBL5799693

CCCCCc1c(Cl)nc2ncnn2c1N

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 18/20 0.51
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 1/20 0.42

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
SCHEMBL5227025 0.99 MBOAT4 (0.50) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL5593524 0.84 GAA (0.47) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL10636531 0.84 MBOAT4 (0.52) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL230425 0.84 MBOAT4 (0.52) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL5229986 0.84 MBOAT4 (0.56) MBOAT4GAA
SCHEMBL3138084 0.83 GAA (0.43) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL303749 0.82 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL174682 0.82 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL3130141 0.82 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL5593321 0.82 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM

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-1620436-A1 HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-02-01 — — EP disclosed
WO-2004092175-A1 HETEROBICYCLIC COMPOUNDS USED AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-10-28 — — WO disclosed