SCHEMBL8638335

SCHEMBL8638335

Sc1ccccc1C1=NCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
KCNN4 O15554 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
IDO1 P14902 1/20 0.34
MMP12 P39900 1/20 0.34
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31

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
SCHEMBL29420719 0.86 SMN1; SMN2 (0.50) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL218213 0.86 SMN1; SMN2 (0.50) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL381604 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL8855966 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL25218345 0.77 SMN1; SMN2 (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL31325259 0.77 SMN1; SMN2 (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL7452092 0.77 ALDH1A1 (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL5734495 0.77 SMN1; SMN2 (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL7831181 0.77 NISCH (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C
SCHEMBL31048511 0.77 NISCH (0.44) SMN1; SMN2KCNN4ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723667-A Method of producing optically active tert-leucinol and its use DEGUSSA AKTIENGESELLSCHAFT (DE) 1998-03-03 US claimed
EP-0728736-A1 Process for the preparation of optically active tert-leucinol and use thereof Degussa Aktiengesellschaft (DE) 1996-08-28 EP claimed
EP-0728736-B1 Process for the preparation of optically active tert-leucinol and use thereof DEGUSSA (DE) 1998-08-19 EP disclosed
US-5723667-A Method of producing optically active tert-leucinol and its use DEGUSSA AKTIENGESELLSCHAFT (DE) 1998-03-03 US disclosed
EP-0728736-A1 Process for the preparation of optically active tert-leucinol and use thereof Degussa Aktiengesellschaft (DE) 1996-08-28 EP disclosed