SCHEMBL14970474

SCHEMBL14970474

Clc1ccc(OCCCCN2CCCCCC2)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
ALDH1A1 P00352 1/20 0.75
POLB P06746 2/20 0.71
HRH3 Q9Y5N1 14/20 0.68

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
SCHEMBL7396432 0.98 KDM4E (0.73) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
SCHEMBL7398924 0.98 KDM4E (0.73) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
SCHEMBL7399802 0.98 KDM4E (0.73) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
Hydrochloric Acid SCHEMBL7395361 0.97 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
Hydrochloric Acid SCHEMBL7594910 0.97 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
SCHEMBL7564110 0.95 KDM4E (0.82) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
SCHEMBL1387405 0.88 KDM4E (0.67) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
Hydrochloric Acid SCHEMBL7443521 0.86 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1POLBHRH3
SCHEMBL7403755 0.85 HRH3 (0.65) KDM4ESMN1; SMN2ALDH1A1HRH3
Hydrochloric Acid SCHEMBL7453458 0.85 KDM4E (0.60) KDM4ESMN1; SMN2ALDH1A1POLBHRH3

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
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed