SCHEMBL7309039

SCHEMBL7309039

CN(C(=O)CCCCOc1c(Cl)ccc(C=O)c1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
THRA P10827 1/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7306725 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7306817 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7319123 0.83 HPGD (0.39) ALDH1A1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL10375845 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7317619 0.82 HPGD (0.39) ALDH1A1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL10376583 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7317613 0.81 PTPN7 (0.32) ALDH1A1SMN1; SMN2HPGDMAPTTHRB
SCHEMBL7312705 0.81 TNF (0.39) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL7314929 0.80 FFAR4 (0.38) ALDH1A1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL10376006 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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