SCHEMBL8442883

SCHEMBL8442883

Cc1cn2cccc(OS(=O)(=O)C(F)(F)F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
GRM5 P41594 2/20 0.35
FEN1 P39748 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 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
SCHEMBL14679593 0.75 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11070005 0.73 NPC1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25172389 0.69 PDE4A (0.31) CA1CA2
SCHEMBL2189993 0.69 ATP4A (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31381761 0.69 NR3C1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9748669 0.69 HTR6 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10265840 0.68 DRD2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1712875 0.68 DRD2 (0.43) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL2984151 0.68 DRD2 (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL25150931 0.68 NPC1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed