SCHEMBL10691068

SCHEMBL10691068

COc1ccc(CSc2nc(OC)cc(OC)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CTSB P07858 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
KMT2A Q03164 2/20 0.51
RELA Q04206 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.49
MMP13 P45452 1/20 0.49
APP P05067 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL97659 0.82 NPC1 (0.54) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL99151 0.82 NPC1 (0.54) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL16743643 0.77 HTT (0.54) NPC1RAB9ACTSBL3MBTL1ALDH1A1
Bicarbonate SCHEMBL11298239 0.77 KDM4E (0.60) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL6637213 0.76 TP53 (0.56) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL6640584 0.76 KMT2A (0.60) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL8139603 0.75 RAB9A (0.55) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL8150025 0.75 CTSB (0.48) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL25440116 0.75 TSHR (0.54) NPC1RAB9ACTSBL3MBTL1ALDH1A1
SCHEMBL10687383 0.74 APP (0.58) NPC1RAB9AL3MBTL1ALDH1A1SMN1; 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
US-4761173-A Herbicidal heterocyclic sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-08-02 US disclosed
EP-0244269-A2 Herbicidal heterocyclic sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-04 EP disclosed