SCHEMBL16961006

SCHEMBL16961006

[CH2]c1cccc(SC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ABCB1 P08183 2/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33

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
SCHEMBL4460479 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL16953864 0.79 LMNA (0.37) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL16959194 0.77 — —
SCHEMBL8425831 0.77 CYP1A2 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL16961008 0.77 LMNA (0.39) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL24312388 0.75 KDM4E (0.38) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL16960044 0.75 ABCB1 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL16960042 0.75 KDM4E (0.36) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL95282 0.72 — —
SCHEMBL42242 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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