SCHEMBL7142789

SCHEMBL7142789

CC(O)(CC(=O)O)c1ccc2c(c1)Nc1nccnc1S2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 19/20 0.53
VCAM1 P19320 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6749655 0.86 ICAM1 (0.52) ICAM1VCAM1KDM4EGAAMAPT
SCHEMBL6747234 0.77 ICAM1 (0.63) ICAM1VCAM1
SCHEMBL6746538 0.75 ICAM1 (0.59) ICAM1VCAM1KDM4EGAAMAPT
SCHEMBL6747419 0.73 ICAM1 (0.53) ICAM1VCAM1KDM4EGAAMAPT
SCHEMBL6745340 0.73 ICAM1 (0.46) ICAM1KDM4EGAAMAPTHPGD
SCHEMBL6747338 0.71 ICAM1 (0.55) ICAM1VCAM1KDM4EGAAMAPT
SCHEMBL8321479 0.71 ICAM1 (0.54) ICAM1KDM4EGAAMAPTHPGD
SCHEMBL6745635 0.71 ALDH1A1 (0.51) ICAM1KDM4EGAAMAPTHPGD
SCHEMBL6747638 0.71 ICAM1 (0.63) ICAM1VCAM1
SCHEMBL6749084 0.71 ICAM1 (0.66) ICAM1VCAM1KDM4EGAAMAPT

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