SCHEMBL28279658

SCHEMBL28279658

C=Cc1ccc(S(=O)(=O)Oc2ccccc2)cc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 9/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ABL2 P42684 1/20 0.43
LMNA P02545 3/20 0.42
PPARG P37231 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL26317184 0.98 TDP1 (0.51) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1143736 0.91 TDP1 (0.61) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7191275 0.82 ALDH1A1 (0.57) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1143598 0.81 ALDH1A1 (0.51) TDP1MAPTALDH1A1KDM4EHTT
SCHEMBL31464210 0.81 ALDH1A1 (0.51) TDP1MAPTALDH1A1KDM4EHTT
SCHEMBL28075403 0.81 TDP1 (0.70) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL26317191 0.80 GPR17 (0.44) TDP1MAPTNPC1RAB9ASMN1; SMN2
Formaldehyde SCHEMBL9220828 0.79 TDP1 (0.68) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19146 0.79 TDP1 (0.73) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7981247 0.79 TDP1 (0.73) TDP1MAPTNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109453814-A Containing sulfonic group and the polymer supported rhodium catalyst of Phosphine ligands multi-stage porous and preparation and application 中国科学院大连化学物理研究所 2019-03-12 CN claimed
CN-109453814-A Containing sulfonic group and the polymer supported rhodium catalyst of Phosphine ligands multi-stage porous and preparation and application 中国科学院大连化学物理研究所 2019-03-12 CN disclosed