SCHEMBL6770030

SCHEMBL6770030

Nc1nccc2c(OCCNC(=O)O)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
NCF1 P14598 2/20 0.42
CYBB P04839 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KLKB1 P03952 1/20 0.37
LMNA P02545 1/20 0.37
ITK Q08881 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL5662541 0.80 SCN9A (0.49) ALDH1A1KDM4EHPGD
SCHEMBL5663479 0.76 HTR1B (0.58) ALDH1A1KDM4EHPGDNCF1CYBB
Trifluoroacetic Acid SCHEMBL6768943 0.75 F10 (0.50) KDM4EHPGDKMT2AMEN1SMN1; SMN2
SCHEMBL18301289 0.75 KLKB1 (0.54) NCF1KMT2AMEN1PLAUKLKB1
SCHEMBL6775414 0.75 ROCK1 (0.41) ALDH1A1KDM4EHPGDPLAUKLKB1
Hydrochloric Acid SCHEMBL5661310 0.75 HTR1B (0.57) ALDH1A1KDM4EHPGDNCF1CYBB
SCHEMBL7425113 0.74 MEN1 (0.51) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6776349 0.73 ROCK1 (0.46) ALDH1A1NCF1MTNR1AMTNR1BPLAU
Trifluoroacetic Acid SCHEMBL6769172 0.73 L3MBTL1 (0.38) ALDH1A1KDM4EHPGDNCF1CYBB
SCHEMBL25394381 0.72 MTNR1A (0.49) ALDH1A1KDM4EHPGDKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 EP disclosed