SCHEMBL5228747

SCHEMBL5228747

C=C(C)CN(CC)c1c(C2CCCC2)c(Cl)nc2ncnn12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE2A O00408 19/20 0.33

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
SCHEMBL7492832 0.79 LMNA (0.38) LMNACYP1A2MAPK1
SCHEMBL7950853 0.79 MAPK1 (0.40) LMNACYP1A2MAPK1
SCHEMBL5228839 0.78 LMNA (0.39) LMNACYP1A2MAPK1
SCHEMBL4819883 0.77 KDM4E (0.41) LMNACYP1A2MAPK1
SCHEMBL4819244 0.76 MAPK1 (0.38) LMNACYP1A2MAPK1PDE2A
SCHEMBL4817223 0.76 ALDH1A1 (0.35) LMNACYP1A2MAPK1PDE2A
SCHEMBL5228763 0.74 PDE2A (0.33) MAPK1PDE2A
SCHEMBL4816582 0.74 MBOAT4 (0.37) LMNACYP1A2MAPK1PDE2A
SCHEMBL4820870 0.74 ENPP1 (0.38) LMNACYP1A2MAPK1PDE2A
SCHEMBL4819349 0.73 CRHR1 (0.38) LMNACYP1A2MAPK1PDE2A

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