SCHEMBL8934519

SCHEMBL8934519

c1cc(NC2=NCCS2)ccc1CN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HRH3 Q9Y5N1 2/20 0.47
KMT2A Q03164 2/20 0.46
NPY1R P25929 4/20 0.45
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
AOC3 Q16853 1/20 0.43
NCF1 P14598 1/20 0.43

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
SCHEMBL8934644 0.84 POLB (0.52) POLBHPGDALDH1A1
SCHEMBL8934491 0.75 POLB (0.48) POLBNPY1RAOC3
SCHEMBL9629092 0.72 POLB (0.55) POLBHPGDALDH1A1KMT2ANPY1R
SCHEMBL7354403 0.71 POLB (1.00) POLBHPGDALDH1A1KMT2ANPY1R
SCHEMBL8934627 0.71 AOC3 (0.53) POLBHRH3NPY1RAOC3
SCHEMBL9628041 0.70 POLB (0.53) POLBHPGDALDH1A1KMT2ANPY1R
SCHEMBL9628556 0.70 POLB (0.53) POLBHPGDALDH1A1KMT2ANPY1R
SCHEMBL29642975 0.70 HRH3 (0.64) POLBALDH1A1HRH3HRH4KDM4E
SCHEMBL11201497 0.70 HRH3 (0.94) POLBALDH1A1HRH3HRH4KDM4E
SCHEMBL25188622 0.68 NCF1 (0.57) POLBALDH1A1HRH3HRH4KDM4E

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