SCHEMBL21494400

SCHEMBL21494400

O=S(=O)(O)C1CCNc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 17/20 0.36
▸ F2 P00734 4/20 0.36
▸ BDKRB1 P46663 1/20 0.34

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
SCHEMBL2582321 0.83 F12 (0.36) F12F2
SCHEMBL7673571 0.82 KCNH2 (0.33) —
Hydrochloric Acid SCHEMBL27712072 0.81 KCNH2 (0.33) —
Methylamine SCHEMBL28799881 0.78 MTNR1A (0.33) F12F2
SCHEMBL1917482 0.76 BCHE (0.40) F12F2BDKRB1
SCHEMBL224810 0.72 F12 (0.36) F12
SCHEMBL2172225 0.72 F12 (0.36) F12
SCHEMBL30290030 0.72 F12 (0.36) F12
SCHEMBL2172550 0.72 F12 (0.36) F12
SCHEMBL10812390 0.72 F12 (0.36) F12F2

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
EP-3784671-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2021-03-03 — — EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
CN-101801194-A Has 5-HT 63 ' the compound that replaces of receptor affinity MEMORY PHARM CORP 2010-08-11 — — CN disclosed
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