SCHEMBL8891031

SCHEMBL8891031

Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL10973840 0.85 CD44 (0.33) GAA
SCHEMBL10607540 0.85 GAA (0.30) GAA
Apraclonidine SCHEMBL20840496 0.79 CYP3A4 (0.39)
Apraclonidine SCHEMBL34127 0.79 CYP3A4 (0.39)
SCHEMBL6895755 0.79 NOTUM (0.31)
Apraclonidine SCHEMBL8762489 0.78 BLM (0.39)
Apraclonidine SCHEMBL22616253 0.78 CYP3A4 (0.38)
Apraclonidine SCHEMBL41138 0.78 BLM (0.39)
Hydrochloric Acid SCHEMBL10876923 0.77 ALDH1A1 (0.31)
SCHEMBL11449342 0.76 CD44 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612364-A INTRAOCULAR HYPERTENSION ALCON LABORATORIES, INC. (US) 1997-03-18 US claimed
WO-1997017331-A1 SUBSTANTIALLY PURE APRACLONIDINE AND ITS USE IN LOWERING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1997-05-15 WO disclosed
US-5612364-A INTRAOCULAR HYPERTENSION ALCON LABORATORIES, INC. (US) 1997-03-18 US disclosed