SCHEMBL17440489

SCHEMBL17440489

CCCS(=O)(=O)O.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
PSIP1 O75475 1/20 0.38
PKM P14618 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 3/20 0.35
HSD11B1 P28845 1/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL27263244 0.98 GAA (0.38) GAAPSIP1PKMTSHRSMN1; SMN2
SCHEMBL27262262 0.87 AR (0.38) GAAPSIP1TSHRESR1HPGD
Phenol SCHEMBL17102999 0.84 CA12 (0.46) GAAPSIP1PKMTSHRSMN1; SMN2
Chlorobenzene SCHEMBL27670059 0.80 TSHR (0.46) GAAPSIP1PKMTSHRSMN1; SMN2
Toluene SCHEMBL28166100 0.80 LMNA (0.46) GAAPSIP1PKMTSHRSMN1; SMN2
Naphthalene SCHEMBL30775918 0.79 GAA (0.43) GAAPSIP1PKMTSHRSMN1; SMN2
Naphthalene SCHEMBL12468496 0.79 GAA (0.43) GAAPSIP1PKMTSHRSMN1; SMN2
Aniline SCHEMBL8010474 0.78 TSHR (0.44) GAAPSIP1PKMTSHRSMN1; SMN2
Iodobenzene SCHEMBL27670067 0.78 GAA (0.40) GAAPSIP1PKMTSHRSMN1; SMN2
Bromobenzene SCHEMBL27649869 0.78 ALDH1A1 (0.44) GAAPSIP1PKMTSHRSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169431-A1 HIGH EFFICIENCY, ULTRA-STABLE, BONDED HYDROPHILIC INTERACTION CHROMATOGRAPHY (HILIC) MATRIX ON SUPERFICIALLY POROUS PARTICLES (SPPS) Azyp LLC (US) 2017-05-24 EP claimed
WO-2016011427-A1 HIGH EFFICIENCY, ULTRA-STABLE, BONDED HYDROPHILIC INTERACTION CHROMATOGRAPHY (HILIC) MATRIX ON SUPERFICIALLY POROUS PARTICLES (SPPS) AZYP, LLC (US) 2016-01-21 WO claimed
CN-106861662-B Amphoteric ion hydrophilic Interaction Chromatography stationary phase, the preparation method and applications that zwitterion is bonded respectively 大连理工大学 2019-07-16 CN disclosed
CN-106861662-A Amphion hydrophilic Interaction Chromatography fixing phase, preparation method and applications that zwitterion is bonded respectively 大连理工大学 2017-06-20 CN disclosed
EP-3169431-A1 HIGH EFFICIENCY, ULTRA-STABLE, BONDED HYDROPHILIC INTERACTION CHROMATOGRAPHY (HILIC) MATRIX ON SUPERFICIALLY POROUS PARTICLES (SPPS) Azyp LLC (US) 2017-05-24 EP disclosed
WO-2016011427-A1 HIGH EFFICIENCY, ULTRA-STABLE, BONDED HYDROPHILIC INTERACTION CHROMATOGRAPHY (HILIC) MATRIX ON SUPERFICIALLY POROUS PARTICLES (SPPS) AZYP, LLC (US) 2016-01-21 WO disclosed