SCHEMBL10857050

SCHEMBL10857050

Cc1c(O)cccc1NC1=NCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38

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 SCHEMBL10368158 0.98 ADRA2A (0.53) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6056 0.84 POLB (0.59) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6690739 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL5784 0.81 ADRA2A (0.71) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL5896 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL5565 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBKMT2A
Hydrochloric Acid SCHEMBL6892538 0.80 ADRA2A (0.53) ADRA2AADRA2BADRA2CPOLBKMT2A
Hydrochloric Acid SCHEMBL10369396 0.80 ADRA2A (0.60) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6898368 0.80 ADRA2A (0.49) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6399 0.79 ADRA2A (0.51) ADRA2AADRA2BADRA2CPOLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579951-A TREATMENT OF DIARRHEA G. D. SEARLE & CO. (US) 1986-04-01 US claimed
EP-0155653-A2 Substituted (azacycloalk-2-yl) iminophenols and esters thereof G.D. Searle & Co. (US) 1985-09-25 EP disclosed