SCHEMBL7282174

SCHEMBL7282174

CCOC(=O)c1ccc(-c2ncc(N)cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 2/20 0.65
MAOA P21397 1/20 0.65
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 4/20 0.53
TP53 P04637 1/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
ESR1 P03372 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
ESR2 Q92731 1/20 0.53
CA14 Q9ULX7 1/20 0.53
KDM4E B2RXH2 3/20 0.53
PDGFRB P09619 1/20 0.52

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
SCHEMBL9693351 0.86 CA12 (0.54) LMNACYP1A2CYP3A4MAOARAB9A
SCHEMBL29635221 0.83 PDGFRB (0.54) LMNACYP1A2CYP3A4MAOARAB9A
SCHEMBL27771735 0.82 CA12 (0.58) LMNACYP1A2CYP3A4MAOARAB9A
SCHEMBL9694662 0.82 RARB (0.55) LMNACYP1A2CYP3A4MAOARAB9A
SCHEMBL11374568 0.82 LMNA (0.89) LMNACYP1A2CYP3A4MAOARAB9A
SCHEMBL4635046 0.80 CA12 (0.63) LMNACYP1A2CYP3A4MAOARAB9A
SCHEMBL9695613 0.80 RARB (0.63) LMNACYP1A2CYP3A4MAOARAB9A
Benzocaine SCHEMBL25100 0.79 LMNA (1.00) LMNACYP1A2CYP3A4MAOARAB9A
Benzocaine SCHEMBL1235972 0.79 LMNA (1.00) LMNACYP1A2CYP3A4MAOARAB9A
SCHEMBL1965326 0.79 CA1 (0.73) LMNACYP1A2CYP3A4MAOARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
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