SCHEMBL5244192

SCHEMBL5244192

CN(c1ccc(F)cc1)c1ncnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CSF1R P07333 3/20 0.34
EGFR P00533 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.33
SOS1 Q07889 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5247652 0.88 MAPT (0.47) MAPTLMNAHTTCA1CA2
SCHEMBL5244451 0.86 MAPT (0.58) MAPTLMNAHTTMEN1KMT2A
SCHEMBL2019674 0.84 CA1 (0.43) MAPTLMNAHTTCA1CA2
SCHEMBL17815794 0.83 MAPT (0.43) MAPTLMNAHTTCA1CA2
SCHEMBL17815790 0.82 PRMT1 (0.43) MAPTLMNAHTTCA1CA2
SCHEMBL8078419 0.78 LMNA (0.40) MAPTLMNAHTTCA1CA2
SCHEMBL5248227 0.76 EGFR (0.38) LMNAHTTMEN1KMT2ACSF1R
SCHEMBL6662120 0.73 HTT (0.40) MAPTLMNAHTTCA1CA2
SCHEMBL9124007 0.71 ALDH1A1 (0.40) MAPTLMNAHTTCA1CA2
SCHEMBL304909 0.70 CA1 (0.49) MAPTLMNAHTTCA1CA2

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
EP-1848506-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES Attenuon, LLC (US) 2007-10-31 EP disclosed
WO-2006089298-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES ATTENUON, LLC (US) 2006-08-24 WO disclosed