SCHEMBL13637346

SCHEMBL13637346

COc1ccc(-n2nc(C(=O)N3CCCC(C=O)C3)cc2-c2ccc(F)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 20/20 0.51

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
SCHEMBL2913285 0.88 KDM1A (0.50) KDM1A
SCHEMBL2916474 0.84 KDM4E (0.50) KDM1A
SCHEMBL13637534 0.84 KDM1A (0.51) KDM1A
SCHEMBL2921273 0.82 MGLL (0.51) KDM1A
SCHEMBL2911623 0.82 MGLL (0.56) KDM1A
SCHEMBL2920781 0.81 PTGS2 (0.64)
SCHEMBL13212922 0.81 PTGS2 (0.49) KDM1A
Hydrochloric Acid SCHEMBL2919880 0.80 PTGS2 (0.49) KDM1A
SCHEMBL2915459 0.79 PTGS2 (0.48) KDM1A
Hydrochloric Acid SCHEMBL2912049 0.79 PTGS2 (0.47) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed