SCHEMBL7306725

SCHEMBL7306725

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
PDE4D Q08499 1/20 0.35
POLB P06746 2/20 0.35
THRA P10827 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7309039 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7306817 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7306731 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7314387 0.78 PDE3B (0.42) ALDH1A1SMN1; SMN2POLBTHRANPC1
SCHEMBL7313370 0.77 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL10377117 0.75 PDE3B (0.42) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7313090 0.73 CNR1 (0.42) ALDH1A1MEN1KMT2APOLB
SCHEMBL10375845 0.71 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL10376583 0.71 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7312020 0.71 LMNA (0.46) ALDH1A1KMT2ASMN1; SMN2THRANPC1

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