SCHEMBL9804045

SCHEMBL9804045

Cc1csc(CCCCCCCOc2cc(C)nc3ccccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.43
CYP1A2 P05177 1/20 0.39
ACP1 P24666 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
SCHEMBL9804115 0.82 HTT (0.50) CYP1A2
SCHEMBL9803998 0.79 MEN1 (0.46) NCF1CYP1A2
SCHEMBL9804018 0.78 NCF1 (0.42) NCF1CYP1A2
SCHEMBL16356400 0.78 SLC6A3 (0.42) NCF1CYP1A2
SCHEMBL9804044 0.77 NCF1 (0.41) NCF1CYP1A2
SCHEMBL8214515 0.77 LOXL2 (0.41) NCF1CYP1A2
SCHEMBL16248312 0.77 NCF1 (0.51) NCF1CYP1A2
SCHEMBL16453464 0.75 NCF1 (0.49) NCF1CYP1A2
SCHEMBL3268831 0.75 NCF1 (0.52) NCF1CYP1A2ACP1
SCHEMBL9804170 0.75 HRH3 (0.47)

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-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP disclosed