SCHEMBL9254672

SCHEMBL9254672

NCc1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2CCCN2CCSCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.44
JAK1 P23458 7/20 0.44
TYK2 P29597 7/20 0.44
JAK3 P52333 7/20 0.44
PTGER4 P35408 4/20 0.44
MCHR1 Q99705 6/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SUV39H1 O43463 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL9253585 0.91 PTGER4 (0.47) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248699 0.90 JAK2 (0.44) JAK2JAK1TYK2JAK3PTGER4
Acetic Acid SCHEMBL9248143 0.85 JAK2 (0.56) JAK2JAK1TYK2JAK3PTGER4
Bromide SCHEMBL9248603 0.83 SIRT2 (0.51) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL8863337 0.82 PTGER4 (0.47) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9245428 0.81 PTGER4 (0.47) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255435 0.81 PTGER4 (0.52) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9252718 0.80 JAK2 (0.44) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9247609 0.80 HDAC6 (0.56) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248924 0.80 PTGER4 (0.48) JAK2JAK1TYK2JAK3PTGER4

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed