SCHEMBL5227316

SCHEMBL5227316

Nc1c(C2CCCC2)c(Cl)nc2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.41
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PDE2A O00408 16/20 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
SCHEMBL5229520 0.99 MBOAT4 (0.41) MBOAT4ALDH1A1POLBPDE2A
SCHEMBL5263900 0.80 PDE2A (0.39) PDE2A
SCHEMBL5225192 0.79 MBOAT4 (0.39) MBOAT4PDE2A
SCHEMBL5229431 0.79 PDE2A (0.33) MBOAT4PDE2A
SCHEMBL5231936 0.79 PDE2A (0.35) PDE2A
SCHEMBL5229425 0.78 CDK2 (0.38) ALDH1A1POLBPDE2A
SCHEMBL5225373 0.78 MBOAT4 (0.39) MBOAT4PDE2A
SCHEMBL5231931 0.75 ENPP1 (0.42) ALDH1A1PDE2A
SCHEMBL5228606 0.75 LMNA (0.41) ALDH1A1PDE2A
SCHEMBL4016258 0.73 PDE2A (0.41) ALDH1A1PDE2A

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