SCHEMBL6202631

SCHEMBL6202631

CNc1c(N2CCNCC2C)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 2/20 0.37
HTR2C P28335 7/20 0.36
HTR2B P41595 6/20 0.36
HTR2A P28223 3/20 0.36
LATS1 O95835 1/20 0.36
HTR7 P34969 1/20 0.35
BRPF1 P55201 2/20 0.35
BRD4 O60885 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF3 Q9ULD4 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC12A2 P55011 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
SCHEMBL8587625 0.85 HTT (0.44) MAPTKCNH2HTR2CHTR2BHTR2A
SCHEMBL5238079 0.80 HTR2C (0.38) MAPTKCNH2HTR2CHTR2BHTR2A
Tert-Butyl Formate SCHEMBL27791266 0.75 HTT (0.36) KCNH2HTR2CHTR2BHTR2ABRPF1
SCHEMBL28936152 0.75 MAPT (0.51) MAPTPOLBHTR2CHTR7BRPF1
SCHEMBL15770549 0.73 LATS1 (0.49) MAPTPOLBKCNH2HTR2CHTR2B
Ammonia Solution, Strong SCHEMBL27277144 0.72 CYP1A2 (0.51) MAPTPOLBHTR2CHTR2BHTR2A
SCHEMBL16580890 0.71 ALDH1A1 (0.49) MAPTPOLBKCNH2HTTKMT2A
SCHEMBL20694909 0.70 HTR1A (0.45) MAPTHTR7HTTKMT2AACHE
SCHEMBL15210112 0.70 KMT2A (0.44) HTR2CHTR2BHTR2AHTTKMT2A
SCHEMBL11876376 0.70 HTR2C (0.52) MAPTPOLBHTR2CHTTKMT2A

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-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed