SCHEMBL8934504

SCHEMBL8934504

Cc1ccn2c(Cl)c(CCc3ccc(NC4=NCCS4)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.48
AOC3 Q16853 1/20 0.43
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 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
SCHEMBL8934533 0.90 NPY1R (0.50) NPY1RAOC3HPGDALDH1A1POLB
SCHEMBL8934518 0.78 NPY1R (0.50) NPY1RAOC3HPGDALDH1A1POLB
Fumaric Acid SCHEMBL8934540 0.73 MAPT (0.39) NPY1RAOC3HPGDALDH1A1POLB
Fumaric Acid SCHEMBL8934542 0.73 MAPT (0.39) NPY1RAOC3HPGDALDH1A1POLB
SCHEMBL8934581 0.72 TP53 (0.36) NPY1RALDH1A1POLBSMN1; SMN2GAA
SCHEMBL8934556 0.70 ADRA2A (0.48) AOC3
SCHEMBL8934592 0.70 MAPT (0.37) HPGDALDH1A1POLBSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8934527 0.69 CRHBP (0.40) ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL8934598 0.67 RAB9A (0.59) NPY1RHPGDALDH1A1POLBSMN1; SMN2
SCHEMBL9629092 0.67 POLB (0.55) NPY1RAOC3HPGDALDH1A1POLB

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-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed