SCHEMBL10731263

SCHEMBL10731263

O=C(COc1c(SCl)cccc1SCl)Nc1ncccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TDP1 Q9NUW8 5/20 0.43
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL10732207 0.83 NPSR1 (0.37) GAANPSR1ALDH1A1LMNAHTT
SCHEMBL10726989 0.81 NPSR1 (0.64) GAANPSR1ALDH1A1LMNAHTT
SCHEMBL10727981 0.80 NOTUM (0.56) GAAKMT2AMEN1POLBNOTUM
SCHEMBL10387977 0.75 KMT2A (0.59) ALDH1A1LMNAKMT2AMEN1TDP1
SCHEMBL10389651 0.74 LGALS1 (0.45) ALDH1A1KMT2AHPGDKDM4E
SCHEMBL1430518 0.69 HTT (0.64) GAANPSR1ALDH1A1LMNAHTT
SCHEMBL17967848 0.67 GAA (0.70) GAANPSR1ALDH1A1LMNATDP1
SCHEMBL10731268 0.66 ALDH1A1 (0.67) GAANPSR1ALDH1A1LMNAHTT
SCHEMBL9722714 0.66 RAB9A (0.64) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL5638709 0.64 KMT2A (0.70) GAALMNAKMT2AMEN1POLB

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
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