SCHEMBL7309670

SCHEMBL7309670

CC(=O)c1cccc(OC(CCCC(N)=O)N2CCCC3CCCCC32)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 3/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPD P32754 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7319899 0.87 KDM4E (0.31) KDM4ECYP2D6CYP2C19
SCHEMBL7306837 0.86 KDM4E (0.30) KDM4E
SCHEMBL7316139 0.83 ALDH1A1 (0.31) KDM4EALDH1A1LMNAHTTPOLB
SCHEMBL7314467 0.80 ALDH1A1 (0.31) KDM4EALDH1A1LMNAHTT
SCHEMBL7310854 0.79 ALDH1A1 (0.31) KDM4EALDH1A1LMNAHTT
SCHEMBL7309666 0.73 KDM4E (0.38) KDM4EKMT2AMAPTALDH1A1LMNA
SCHEMBL10376949 0.73 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNACYP2D6
SCHEMBL10376145 0.70 POLB (0.31) KDM4EKMT2AALDH1A1LMNAHTT
SCHEMBL10374500 0.68 PDE3B (0.51)
SCHEMBL11114380 0.68 ALDH1A1 (0.34) KDM4EKMT2AMAPTALDH1A1MEN1

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 1 patent. 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