SCHEMBL7889976

SCHEMBL7889976

CCCn1c(=S)[nH]c2cc3ccccc3cc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.64
▸ MPO P05164 4/20 0.54
▸ HAVCR2 Q8TDQ0 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 1/20 0.49
▸ XDH P47989 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 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
SCHEMBL8520728 0.78 ALDH1A1 (0.60) ALDH1A1MPOSMN1; SMN2LMNAXDH
SCHEMBL2731278 0.78 ALDH1A1 (0.75) ALDH1A1MPOSMN1; SMN2XDHHSD17B10
SCHEMBL7102614 0.78 CA12 (0.61) ALDH1A1MPOSMN1; SMN2LMNAXDH
SCHEMBL18708215 0.78 ALDH1A1 (1.00) ALDH1A1MPOLMNAMAPK1XDH
SCHEMBL8519883 0.77 ALDH1A1 (0.59) ALDH1A1MPOHAVCR2SMN1; SMN2LMNA
SCHEMBL8519360 0.75 CA12 (0.57) ALDH1A1MPOSMN1; SMN2LMNAXDH
SCHEMBL12713432 0.74 MPO (0.73) ALDH1A1MPOHAVCR2SMN1; SMN2XDH
SCHEMBL29446410 0.73 KCNH2 (0.69) ALDH1A1MPOHAVCR2SMN1; SMN2NPC1
SCHEMBL29446426 0.71 ALDH1A1 (0.52) ALDH1A1MPOHAVCR2SMN1; SMN2LMNA
SCHEMBL15958274 0.71 ALDH1A1 (0.63) ALDH1A1MPOSMN1; SMN2LMNAXDH

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-6245770-B1 AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-12 — — US disclosed
US-6066638-A CONTROLLING PLANT DISEASES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-23 — — US disclosed
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