SCHEMBL7320429

SCHEMBL7320429

O=Cc1cc(OCCCC(=O)NN2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7318387 0.99 KDM4E (0.46) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7320153 0.91 RAB9A (0.48) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7319188 0.88 ALDH1A1 (0.47) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7318455 0.83 KDM4E (0.47) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10374591 0.83 KDM4E (0.40) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7318303 0.82 KDM4E (0.47) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7307157 0.82 KDM4E (0.48) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7314553 0.81 KDM4E (0.48) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7321019 0.81 MAPK1 (0.39) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL2555832 0.81 SIRT5 (0.51) KDM4EMEN1KMT2AHTTSIRT5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116948-B1 (2-OXO-1,2,3,5-TETRAHYDROIMIDAZO-(2,1-B)QUINAZOLINYL)-OXYALKYL-AMIDES SYNTEX (U.S.A.) INC. (US) 1990-01-03 EP disclosed
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed
US-4663320-A ANTITUMOR AGENTS, ANTICOAGULANTS SYNTEX (U.S.A.) INC. (US) 1987-05-05 US disclosed
US-4551459-A Method of treating heart failure using (2-oxo-1,2,3,5-tetrahydroimidazo-[2,1-b]quinazolinyl)oxyalkylamides SYNTEX (U.S.A.) INC. (US) 1985-11-05 US disclosed
EP-0116948-A2 (2-Oxo-1,2,3,5-tetrahydroimidazo-(2,1-b)quinazolinyl)-oxyalkyl-amides SYNTEX (U.S.A.) INC. (US) 1984-08-29 EP disclosed