SCHEMBL10696388

SCHEMBL10696388

CC(O)(COc1ccccc1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AHR P35869 2/20 0.42
CHRM2 P08172 1/20 0.42
CYP2D6 P10635 2/20 0.39
BLM P54132 1/20 0.39
CHRM3 P20309 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
KCNA3 P22001 1/20 0.35
ALOX15 P16050 1/20 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
Hydrochloric Acid SCHEMBL10567706 0.98 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1AHRCHRM2CYP2D6
SCHEMBL30471943 0.77 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2CYP2D6
SCHEMBL29828412 0.77 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2CYP2D6
SCHEMBL12717402 0.77 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2CYP2D6
SCHEMBL26835113 0.77 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2CYP2D6
SCHEMBL23364963 0.77 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2CYP2D6
SCHEMBL17713950 0.76 LMNA (0.34) SMN1; SMN2L3MBTL1CYP2D6LMNAALDH1A1
SCHEMBL5929556 0.76 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1CHRM2CYP2D6BLM
SCHEMBL6570728 0.76 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1CHRM2CYP2D6BLM
SCHEMBL17490343 0.75 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRCHRM2CYP2D6

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
EP-0279707-A2 Aryloxymethyl derivatives of nitrogenous heterocyclic methanols and ethers thereof having cardiovascular activity A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-24 EP disclosed