SCHEMBL9804044

SCHEMBL9804044

Cc1cc(OCCCCCCc2sncc2C)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.41
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9804073 0.81 HTR1B (0.52)
SCHEMBL9804018 0.81 NCF1 (0.42) NCF1CYP1A2
SCHEMBL10512164 0.77 HTT (0.44) MEN1KMT2AL3MBTL1
SCHEMBL9804045 0.77 NCF1 (0.43) NCF1CYP1A2
SCHEMBL9804030 0.75 NCF1 (0.44) NCF1CYP1A2
SCHEMBL16248312 0.75 NCF1 (0.51) NCF1CYP1A2
SCHEMBL9804001 0.75 NPC1 (0.45) LMNA
SCHEMBL9803998 0.74 MEN1 (0.46) NCF1CYP1A2MEN1KMT2A
SCHEMBL16453464 0.73 NCF1 (0.49) NCF1CYP1A2
SCHEMBL3268831 0.73 NCF1 (0.52) NCF1CYP1A2

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