SCHEMBL7306823

SCHEMBL7306823

CC(O)c1ccc(Cl)c(C(O)CCCC(=O)N(C)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
THRA P10827 2/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.34
DRD4 P21917 1/20 0.33
FOLH1 Q04609 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL7306731 0.86 ALDH1A1 (0.38) ALDH1A1THRAATMSMN1; SMN2KDM4E
SCHEMBL7306817 0.82 ALDH1A1 (0.39) ALDH1A1THRAATMSMN1; SMN2KDM4E
SCHEMBL7317244 0.70 PDE3B (0.41) ALDH1A1THRAATMSMN1; SMN2KDM4E
SCHEMBL7314934 0.70 ALDH1A1 (0.41) ALDH1A1THRAATMSMN1; SMN2KDM4E
SCHEMBL7317466 0.69 PDE3B (0.46) ALDH1A1THRAATMSMN1; SMN2KDM4E
SCHEMBL7306725 0.68 ALDH1A1 (0.40) ALDH1A1THRAATMSMN1; SMN2KDM4E
SCHEMBL7309039 0.67 ALDH1A1 (0.40) ALDH1A1THRAATMSMN1; SMN2KDM4E
SCHEMBL29271874 0.66 FOLH1 (0.48) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL14470578 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBLMNA
SCHEMBL7307955 0.65 L3MBTL1 (0.43) ALDH1A1THRAKDM4ETHRB

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