SCHEMBL7142386

SCHEMBL7142386

CCOC(=O)/C=C/c1nccn1Cc1ccc2c(c1)Nc1nccnc1S2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 20/20 0.51
VCAM1 P19320 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
SCHEMBL6745578 0.87 ICAM1 (0.55) ICAM1VCAM1
SCHEMBL6745585 0.87 ICAM1 (0.55) ICAM1VCAM1
SCHEMBL6747635 0.81 ALOX5 (0.48) ICAM1
SCHEMBL7142389 0.81 ICAM1 (0.53) ICAM1VCAM1
SCHEMBL6750349 0.76 ICAM1 (0.59) ICAM1VCAM1
SCHEMBL20558910 0.74 OPRD1 (0.48)
SCHEMBL7148828 0.72 ICAM1 (0.60) ICAM1VCAM1
SCHEMBL15765005 0.70 CA12 (0.44)
SCHEMBL7037888 0.70 ICAM1 (0.76) ICAM1VCAM1
SCHEMBL6745844 0.70 ICAM1 (0.47) ICAM1VCAM1

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