SCHEMBL9255246

SCHEMBL9255246

COC(=O)CN1CCN(c2ccc3nc(-c4ccc(C(=N)N)cc4)n(C)c3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
CHEK2 O96017 1/20 0.35
KDM1A O60341 1/20 0.35
BRD4 O60885 1/20 0.35
PARP1 P09874 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
TMPRSS2 O15393 1/20 0.34
HTR1D P28221 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL9252483 0.90 ITGB3 (0.44) ITGB3ITGA2BCHEK2BRD4ALOX15
SCHEMBL9255901 0.87 ITGB3 (0.39) ITGB3ITGA2BCHEK2BRD4LMNA
SCHEMBL9251738 0.85 PADI4 (0.43) ITGB3ITGA2BMAP4K4
SCHEMBL9251783 0.79 TMPRSS15 (0.45) ITGB3ITGA2BCHEK2LMNAKDM4E
SCHEMBL9253758 0.79 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9251234 0.78 ITGB3 (0.46) ITGB3ITGA2BBRD4ALOX15F10
Hydrochloric Acid SCHEMBL8949253 0.77 NPC1 (0.45) ITGB3ITGA2BKDM4EALDH1A1POLB
SCHEMBL9255399 0.75 SCN9A (0.42) ITGB3ITGA2BCHEK2F2F10
Hydrochloric Acid SCHEMBL8714344 0.72 KDM1A (0.54) ITGB3ITGA2BKDM1ALMNAKDM4E
SCHEMBL9251312 0.70 TMPRSS15 (0.40) ITGB3ITGA2BMAPTSMN1; SMN2F10

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