SCHEMBL5225182

SCHEMBL5225182

CCCCCCc1c(C(F)(F)F)nc2ncnn2c1N

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 19/20 0.50
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL304348 1.00 MBOAT4 (0.50) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL5228485 1.00 MBOAT4 (0.50) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL17646445 0.89 MBOAT4 (0.44) MBOAT4
SCHEMBL5227195 0.84 MBOAT4 (0.49) MBOAT4
SCHEMBL5402153 0.83 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL3122488 0.83 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL3133063 0.83 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL3130141 0.83 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL303749 0.83 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2
SCHEMBL4921904 0.83 GAA (0.45) MBOAT4GAAHTTSMN1; SMN2

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