SCHEMBL5225192

SCHEMBL5225192

Nc1c(C2CCCC2)c(C(F)(F)F)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 16/20 0.39
PDE2A O00408 4/20 0.37

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
SCHEMBL5225373 0.99 MBOAT4 (0.39) MBOAT4PDE2A
SCHEMBL5227316 0.79 MBOAT4 (0.41) MBOAT4PDE2A
SCHEMBL5229520 0.78 MBOAT4 (0.41) MBOAT4PDE2A
SCHEMBL5226718 0.71 MBOAT4 (0.45) MBOAT4
SCHEMBL5228518 0.70 MBOAT4 (0.44) MBOAT4
SCHEMBL5228809 0.70 MBOAT4 (0.50) MBOAT4
SCHEMBL5225381 0.69 KDM4E (0.52) MBOAT4
SCHEMBL4014836 0.66 PDE2A (0.39) PDE2A
SCHEMBL5225556 0.66 MBOAT4 (0.43) MBOAT4
SCHEMBL5228618 0.66 MBOAT4 (0.60) MBOAT4

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