SCHEMBL6424367

SCHEMBL6424367

C[N+]1(C)C(=S)NCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
ALOX12 P18054 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GBA1 P04062 1/20 0.31

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
Hydrochloric Acid SCHEMBL6830548 0.66 SLC18A3 (0.37) ALDH1A1HPGDKDM4ETDP1
SCHEMBL16226181 0.65 TSHR (0.37) LMNA
Iodide SCHEMBL11457678 0.62 SLC18A3 (0.37)
SCHEMBL9629659 0.61 MEN1 (0.46) ALDH1A1HPGDGAAALOX12LMNA
SCHEMBL21291833 0.60 ATM (0.48) ALDH1A1HPGDGAAALOX12LMNA
SCHEMBL7363290 0.59 CYP19A1 (0.43) GAAALOX12
SCHEMBL7358273 0.59 CYP19A1 (0.43) GAAALOX12
SCHEMBL7359734 0.59 CYP19A1 (0.43) GAAALOX12
SCHEMBL26858805 0.59 SLC18A3 (0.36)
SCHEMBL26860300 0.59 SLC18A3 (0.36)

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
EP-1030909-A4 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES SENTRON MEDICAL INC (US) 2005-11-16 EP disclosed
EP-1030909-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES KOHN, Leonard D. (US) 2000-08-30 EP disclosed
WO-2000015768-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES KOHN LEONARD D (US) 2000-03-23 WO disclosed