SCHEMBL7307717

SCHEMBL7307717

O=Cc1c([N+](=O)[O-])ccc(OCCCC(=O)Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
PRSS1 P07477 4/20 0.36
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL7307134 0.89 FFAR1 (0.39) ALDH1A1MAPTSMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7307724 0.88 FFAR1 (0.39) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7314687 0.86 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7312039 0.85 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7307583 0.84 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7317383 0.83 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7315792 0.83 FFAR4 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL7306466 0.82 RAB9A (0.47) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7313337 0.82 BCHE (0.40) ALDH1A1MAPTSMN1; SMN2HPGDHTT
SCHEMBL7306337 0.81 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2HPGDHTT

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