SCHEMBL7315898

SCHEMBL7315898

Cc1cc(C=O)c([N+](=O)[O-])c(OCCCCCC(=O)N(C)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
THRA P10827 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.35
THRB P10828 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10376583 0.87 ALDH1A1 (0.41) ALDH1A1L3MBTL1THRAKDM4EKMT2A
SCHEMBL10375845 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1THRAKDM4EKMT2A
SCHEMBL7313370 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1THRAGAAKDM4E
SCHEMBL7318982 0.84 TSHR (0.43) ALDH1A1KDM4EKMT2AMAPTHTT
SCHEMBL7314934 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1THRAGAAKDM4E
Hydrochloric Acid SCHEMBL7309503 0.83 TSHR (0.42) ALDH1A1KDM4EKMT2AMAPTHTT
SCHEMBL10376006 0.83 ALDH1A1 (0.42) ALDH1A1THRAGAAKDM4EKMT2A
SCHEMBL7315249 0.81 TNF (0.39) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL7309501 0.80 ALDH1A1 (0.35) ALDH1A1L3MBTL1THRAKDM4EKMT2A
SCHEMBL7309407 0.80 TSHR (0.48) ALDH1A1GAAKDM4EKMT2AMEN1

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