SCHEMBL4601359

SCHEMBL4601359

CC(C)Nc1ccccc1N.CC(C)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
HCAR3 P49019 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP7 P55210 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KAT2B Q92831 2/20 0.44
HDAC1 Q13547 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PDE7A Q13946 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL103504 0.90 HCAR3 (0.55) MAPTHCAR3ALDH1A1MAPK1TDP1
SCHEMBL30274042 0.90 HCAR3 (0.55) MAPTHCAR3ALDH1A1MAPK1TDP1
Ammonia Solution, Strong SCHEMBL28179606 0.89 HCAR3 (0.54) MAPTHCAR3ALDH1A1MAPK1TDP1
SCHEMBL29922761 0.81 MAPT (0.46) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL1022329 0.81 MAPT (0.46) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL9102010 0.78 MAPT (0.71) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL30414503 0.78 MAPT (0.71) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL128849 0.77 KMT2A (0.53) MAPTHCAR3ALDH1A1MAPK1TDP1
SCHEMBL30128459 0.77 KMT2A (0.53) MAPTHCAR3ALDH1A1MAPK1TDP1
SCHEMBL5545629 0.76 KAT2B (0.53) MAPTHCAR3ALDH1A1MAPK1TDP1

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-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed