SCHEMBL11667635

SCHEMBL11667635

C=CCc1cc(S(=O)(=O)O)c2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MPL P40238 5/20 0.47
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP2D6 P10635 1/20 0.39
CTRC Q99895 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APP P05067 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SNCA P37840 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7863351 0.80 TTR (0.42) MEN1KMT2AMPLPOLBCYP1A2
SCHEMBL9229519 0.79 MEN1 (0.51) MEN1KMT2APOLBGABRA1GABRB2
SCHEMBL14977703 0.78 TTR (0.41) MEN1KMT2AMPLPOLBCYP1A2
SCHEMBL24922445 0.77 MEN1 (0.50) MEN1KMT2APOLBGABRA1GABRB2
SCHEMBL11666020 0.77 CYP2D6 (0.50) MEN1KMT2AMPLPOLBGABRA1
SCHEMBL6548552 0.75 GABRA1 (0.44) MEN1KMT2APOLBGABRA1GABRB2
SCHEMBL30700 0.75 GABRA1 (0.44) MEN1KMT2APOLBGABRA1GABRB2
SCHEMBL7538465 0.75 MPL (0.58) MEN1KMT2AMPLCYP1A2CYP2D6
SCHEMBL8658348 0.74 GABRA1 (0.58) MEN1KMT2APOLBCYP1A2GABRA1
SCHEMBL3291895 0.74 MEN1 (0.48) MEN1KMT2APOLBCYP1A2GABRA1

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
US-4120897-A 2-Alkyl-1-naphthol-4-sulfonic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-17 US disclosed
US-4110473-A MITICIDAL ETHERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-08-29 US disclosed
US-4049705-A 2-Alkyl-1-naphthol-4-sulfonic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-20 US disclosed