SCHEMBL8433719

SCHEMBL8433719

CC(C)(C)c1ccnc(S)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
METAP2 P50579 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL31135815 0.77 NOS3 (0.57) KIF11ALDH1A1GAAPKMNOS3
SCHEMBL4397763 0.77 NOS3 (0.57) KIF11ALDH1A1GAAPKMNOS3
SCHEMBL347025 0.76 CCR1 (0.48) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29373631 0.76 CCR1 (0.48) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29453375 0.76 CCR1 (0.48) KIF11ALDH1A1HPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL23538061 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL335953 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL15663789 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL2783812 0.74 CCR1 (0.46) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL278964 0.74 LMNA (0.41) KIF11ALDH1A1HPGDALOX15HSD17B10

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-0526849-B1 Substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN IND LTD (JP) 1999-12-01 EP disclosed
US-5374732-A Chemical intermediates as fluorination agents DAIKIN INDUSTRIES, LTD. (JP) 1994-12-20 US disclosed
EP-0526849-A1 Novel substituted N-Fluoropyridiniumsulfonate, intermediates therefor and preparation processes thereof DAIKIN INDUSTRIES, LTD. (JP) 1993-02-10 EP disclosed