SCHEMBL7274780

SCHEMBL7274780

N=C(N)c1ccc(-c2ccc(CCN3CCN(CC(=O)O)C3=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.54
ITGA2B P08514 17/20 0.54
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NQO2 P16083 1/20 0.43

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 SCHEMBL7274984 0.85 ITGB3 (0.45) ITGB3ITGA2BNQO2
SCHEMBL7281172 0.84 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7284365 0.80 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7274465 0.77 HDAC1 (0.60) ITGB3ITGA2B
SCHEMBL7283333 0.77 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7283544 0.76 F10 (0.51) ITGB3ITGA2B
SCHEMBL7401407 0.76 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7284267 0.75 APEX1 (0.55) ITGB3ITGA2BPOLBNQO2
Hydrochloric Acid SCHEMBL7284383 0.74 ITGB3 (0.43) ITGB3ITGA2BLMNA
Hydrochloric Acid SCHEMBL7404001 0.74 F10 (0.51) ITGB3ITGA2B

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
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP 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