SCHEMBL8949146

SCHEMBL8949146

N=C(N)c1cnc(-c2ccc(S(=O)(=O)NCCCCC(=O)O)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TBXA2R P21731 2/20 0.54
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.48
FABP4 P15090 2/20 0.46
F2 P00734 2/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TBXAS1 P24557 2/20 0.44
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL8949120 0.87 ALDH1A1 (0.46) ALDH1A1TBXA2RLMNAPKMF2
SCHEMBL8409042 0.83 LMNA (0.60) ALDH1A1TBXA2RLMNAPKMFABP4
SCHEMBL2008191 0.76 ALDH1A1 (0.80) ALDH1A1TBXA2RLMNAPKMFABP4
SCHEMBL14599528 0.74 ALDH1A1 (0.57) ALDH1A1TBXA2RLMNAPKMF2
SCHEMBL5541901 0.74 ALDH1A1 (0.57) ALDH1A1TBXA2RLMNAPKMF2
SCHEMBL14599610 0.74 ALDH1A1 (0.57) ALDH1A1TBXA2RLMNAPKMF2
SCHEMBL14599613 0.74 ALDH1A1 (0.57) ALDH1A1TBXA2RLMNAPKMF2
SCHEMBL31522318 0.73 ALDH1A1 (0.75) ALDH1A1TBXA2RLMNAPKMFABP4
SCHEMBL28551241 0.73 ALDH1A1 (0.75) ALDH1A1TBXA2RLMNAPKMFABP4
SCHEMBL3383427 0.73 ALDH1A1 (0.97) ALDH1A1TBXA2RLMNAPKMFABP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed