SCHEMBL10374591

SCHEMBL10374591

O=Cc1cc(OCCCC(=O)NN2CCCC3CCCCC32)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
SIRT5 Q9NXA8 1/20 0.36
P2RY12 Q9H244 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL10376749 0.96 KDM4E (0.39) KDM4EMEN1KMT2AHTTHPGD
SCHEMBL10374780 0.96 KDM4E (0.39) KDM4EMEN1KMT2AHTTHPGD
SCHEMBL10374571 0.93 PDE3B (0.38) KDM4EMEN1KMT2AHTTLMNA
SCHEMBL10374595 0.91 LMNA (0.45) KDM4EMEN1KMT2AHTTHPGD
SCHEMBL10376947 0.90 KDM4E (0.38) KDM4EMEN1KMT2AHTTHPGD
SCHEMBL10377030 0.89 KDM4E (0.37) KDM4EMEN1KMT2AHTTLMNA
SCHEMBL7320429 0.83 KDM4E (0.45) KDM4EMEN1KMT2AHTTHPGD
SCHEMBL7309468 0.82 ALDH1A1 (0.37) KDM4EMEN1KMT2AHPGDLMNA
SCHEMBL7318387 0.82 KDM4E (0.46) KDM4EMEN1KMT2AHTTHPGD
SCHEMBL10375872 0.80 ALDH1A1 (0.36) KDM4EMEN1KMT2AHPGDLMNA

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-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
US-4490371-A ANTICOAGULANTS, PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1984-12-25 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