SCHEMBL7145899

SCHEMBL7145899

CCc1nc(C)c(C(=O)O)n1Cc1ccc2c(c1)N(COC)c1nccnc1S2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
ICAM1 P05362 1/20 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
SCHEMBL7149132 0.89 HDAC6 (0.37) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6745496 0.83 HDAC6 (0.41) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6745709 0.80 HDAC6 (0.39) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6745730 0.79 HDAC6 (0.43) HDAC6ICAM1
SCHEMBL6745502 0.79 HDAC6 (0.39) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6747454 0.78 HDAC6 (0.43) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6745707 0.78 HDAC6 (0.39) HDAC6HDAC3HDAC1ICAM1
SCHEMBL7145894 0.77 HDAC6 (0.40) HDAC6HDAC3HDAC1
SCHEMBL6745797 0.77 HDAC6 (0.41) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6747555 0.77 HDAC6 (0.44) HDAC6ICAM1

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
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed