SCHEMBL7311396

SCHEMBL7311396

NC(=O)C(CCOc1ccc([N+](=O)[O-])c(C=O)c1)N1CCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7321016 0.95 ALDH1A1 (0.38) ATMNPC1RAB9AMAPK1L3MBTL1
SCHEMBL7316814 0.86 NPC1 (0.42) ATMNPC1RAB9AMAPK1L3MBTL1
SCHEMBL7311157 0.86 ATM (0.41) ATMNPC1RAB9AMAPK1L3MBTL1
SCHEMBL7320419 0.82 KDM4E (0.44) NPC1RAB9AMAPK1MEN1KMT2A
SCHEMBL7314872 0.81 NPC1 (0.40) NPC1RAB9AMAPK1L3MBTL1MEN1
SCHEMBL7318382 0.81 KDM4E (0.45) NPC1RAB9AMAPK1L3MBTL1MEN1
SCHEMBL7309718 0.80 ALDH1A1 (0.38) ATMNPC1RAB9AMAPK1L3MBTL1
SCHEMBL7317428 0.79 ATM (0.38) ATMNPC1RAB9AMAPK1L3MBTL1
SCHEMBL7321025 0.77 ALDH1A1 (0.39) ATMNPC1RAB9AMAPK1L3MBTL1
SCHEMBL11009546 0.76 KDM4E (0.39) NPC1RAB9AMAPK1MEN1KMT2A

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