SCHEMBL10732207

SCHEMBL10732207

S=C(COc1c(SCl)cccc1SCl)Nc1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10731263 0.83 GAA (0.56) NPSR1GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL10733079 0.81 KMT2A (0.47) NPSR1GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL10387977 0.68 KMT2A (0.59) ALDH1A1SMN1; SMN2KMT2ALMNAL3MBTL1
SCHEMBL10727981 0.67 NOTUM (0.56) GAASMN1; SMN2KMT2ARAB9A
SCHEMBL10732212 0.66 ALDH1A1 (0.44) NPSR1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL10389651 0.63 LGALS1 (0.45) ALDH1A1KMT2A
SCHEMBL10726989 0.63 NPSR1 (0.64) NPSR1GAAALDH1A1KMT2ALMNA
SCHEMBL10729009 0.61 KDM4E (0.49) GAAALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL9018900 0.60 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2LMNA
SCHEMBL11748836 0.60 — —

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-4672065-A TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1987-06-09 — — US disclosed
US-4535087-A FOR TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1985-08-13 — — US disclosed
Send feedback