SCHEMBL7274200

SCHEMBL7274200

COC(=O)CCc1ccc(N2CCN(c3ccc(/C(C)=N/O)cc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.43
HRH3 Q9Y5N1 1/20 0.40
S1PR1 P21453 1/20 0.39
CA9 Q16790 6/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7274204 1.00 HDAC1 (0.43) HDAC1HRH3S1PR1CA9CA1
SCHEMBL7280993 0.88 HDAC1 (0.46) HDAC1HRH3S1PR1ALDH1A1KMT2A
SCHEMBL27397736 0.83 MEN1 (0.51) HDAC1HRH3S1PR1CA9MEN1
SCHEMBL7281838 0.82 HRH3 (0.44) HDAC1HRH3S1PR1
SCHEMBL7283243 0.82 HRH3 (0.44) HDAC1HRH3S1PR1
Hydrochloric Acid SCHEMBL7272547 0.81 ITGB3 (0.53) HDAC1HRH3
SCHEMBL7283797 0.81 HDAC1 (0.43) HDAC1HRH3S1PR1
SCHEMBL7283131 0.81 HRH3 (0.43) HDAC1HRH3S1PR1
Hydrochloric Acid SCHEMBL7282229 0.81 HRH3 (0.43) HDAC1HRH3S1PR1
SCHEMBL7274577 0.81 HDAC1 (0.42) HDAC1HRH3S1PR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed