SCHEMBL7306833

SCHEMBL7306833

O=Cc1cccc(OCCCCC(=O)NN2CCCC3CCCCC32)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAD52 P43351 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
BCHE P06276 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
GALK1 P51570 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10377113 0.99 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ARAD52KDM4E
SCHEMBL10375872 0.97 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ARAD52KDM4E
SCHEMBL10376143 0.90 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7309666 0.86 KDM4E (0.38) ALDH1A1MEN1KMT2AKDM4ECYP2D6
SCHEMBL7319891 0.84 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4ECYP2D6
SCHEMBL7310850 0.82 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4ECYP2D6
SCHEMBL7309468 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4ECYP2D6
SCHEMBL10376947 0.80 KDM4E (0.38) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10374780 0.80 KDM4E (0.39) ALDH1A1MEN1KMT2AKDM4ECNR1
SCHEMBL10374618 0.80 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACYP2D6CYP2C19

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 6 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
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