SCHEMBL5225820

SCHEMBL5225820

CCN(CC)c1c(C(C)C)c(Cl)nc2ncnn12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
ENPP1 P22413 8/20 0.38
CRHR1 P34998 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL14398167 0.89 CRHR1 (0.44) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL5228839 0.88 LMNA (0.39) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL6379047 0.77 ALDH1A1 (0.40) LMNACYP1A2MAPK1ENPP1ALDH1A1
SCHEMBL7960560 0.76 LMNA (0.47) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL5225240 0.75 MBOAT4 (0.44) ENPP1ALDH1A1MBOAT4KDM4E
SCHEMBL5378540 0.73 CRHR1 (0.38) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL5229821 0.73 CRHR1 (0.38) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL7833025 0.73 MAPK1 (0.44) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL5428297 0.72 ALDH1A1 (0.36) LMNACYP1A2MAPK1ENPP1CRHR1
SCHEMBL7494211 0.72 LMNA (0.40) LMNACYP1A2MAPK1ENPP1CRHR1

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