SCHEMBL11234922

SCHEMBL11234922

Nc1ccccc1SCCOCCSc1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
POLB P06746 1/20 0.50
PTGS2 P35354 1/20 0.43
HSD17B10 Q99714 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36

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
Hydroquinone SCHEMBL11406203 0.91 MEN1 (0.44) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL29351476 0.84 MEN1 (0.62) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL292217 0.84 MEN1 (0.62) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL7620846 0.83 KMT2A (0.48) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL30527922 0.82 MEN1 (0.52) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL7295306 0.80 NPC1 (0.57) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL7058662 0.77 MEN1 (0.56) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL3628525 0.76 MEN1 (0.54) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL8621805 0.76 MEN1 (0.54) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL499227 0.76 MEN1 (0.54) MEN1KMT2AMAPTNPSR1APOBEC3G

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
US-4327204-A Process for producing polyurethane elastomer by mixing a hardener composition with an isocyanate composition IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-04-27 US disclosed