SCHEMBL7311430

SCHEMBL7311430

CNC(=O)C(CCCCCOc1ccc(C=O)c([N+](=O)[O-])c1)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
HTR6 P50406 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL7320758 0.87 MAOB (0.39) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL10377209 0.86 KDM4E (0.39) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL7307614 0.86 KDM4E (0.37) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL7311419 0.74 ALDH1A1 (0.35) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL7311424 0.73 LMNA (0.37) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL11113955 0.72 KDM4E (0.35) KDM4EMAPTALDH1A1TDP1L3MBTL1
SCHEMBL7318161 0.71 ALB (0.47) MAPTTDP1MEN1KMT2APDE3B
SCHEMBL14294184 0.70 MAPT (0.54) KDM4EMAPTALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL7311375 0.70 ALB (0.46) MAPTTDP1MEN1KMT2APDE3B
SCHEMBL7311369 0.70 MAPT (0.39) KDM4EMAPTALDH1A1MEN1KMT2A

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