SCHEMBL8423218

SCHEMBL8423218

CCCCOc1ccc(-c2nc(OC)c(C#N)cc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
STAT3 P40763 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL8423384 0.89 STAT3 (0.54) LMNASTAT3TUBB4ATUBBTUBA3C
SCHEMBL8423082 0.89 METAP2 (0.47) STAT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8419332 0.88 ALDH1A1 (0.43) HTTTSHRLMNASMN1; SMN2STAT3
SCHEMBL8419850 0.87 ACLY (0.57) STAT3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8421259 0.87 KDM4E (0.52) HTTTSHRSMN1; SMN2STAT3TUBB4A
SCHEMBL8420941 0.87 MEN1 (0.52) HTTTSHRLMNASMN1; SMN2STAT3
SCHEMBL8419866 0.87 KDM4E (0.46) HTTTSHRSMN1; SMN2STAT3TUBB4A
SCHEMBL8421303 0.86 HTT (0.48) HTTTSHRLMNASMN1; SMN2STAT3
SCHEMBL8419767 0.86 ALDH1A1 (0.42) HTTTSHRLMNASMN1; SMN2STAT3
SCHEMBL8423281 0.85 KDM4E (0.48) TSHRLMNASMN1; SMN2STAT3TUBB4A

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-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed