SCHEMBL7320153

SCHEMBL7320153

O=Cc1cc(OCCCC(=O)NN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 3/20 0.45
MAPT P10636 9/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 3/20 0.40
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
NPY1R P25929 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
SCHEMBL7319188 0.97 ALDH1A1 (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL7320429 0.91 KDM4E (0.45) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL7318387 0.90 KDM4E (0.46) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL7317898 0.84 MAPT (0.53) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL7316021 0.83 ALDH1A1 (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL7309450 0.81 MAPT (0.52) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL7310467 0.80 ALDH1A1 (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
Hydrochloric Acid SCHEMBL4320651 0.79 KDM4E (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL10374591 0.78 KDM4E (0.40) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL7321019 0.78 MAPK1 (0.39) RAB9AALDH1A1NPC1KDM4EKMT2A

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
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
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