SCHEMBL5227025

SCHEMBL5227025

CCCCCCCCc1c(Cl)nc2ncnn2c1N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 18/20 0.50
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.41

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
SCHEMBL5799693 0.99 MBOAT4 (0.51) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL230425 0.86 MBOAT4 (0.52) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL10636531 0.86 MBOAT4 (0.52) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL5593524 0.86 GAA (0.47) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL174682 0.84 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL3121971 0.84 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL3130141 0.84 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL5593321 0.84 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL303749 0.84 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2ATM
SCHEMBL3132086 0.84 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
US-7307172-B2 7-amino triazolopyrimidines for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2007-12-11 US claimed
EP-1414302-B1 7-AMINO TRIAZOLOPYRIMIDINES FOR CONTROLLING HARMFUL FUNGI BASF AG (DE) 2007-03-21 EP claimed