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Sugi Predict / Compounds / SCHEMBL8169094

SCHEMBL8169094

SCHEMBL8169094

Cc1cc(C(=O)Nc2ccc(Br)cn2)n(-c2ccc(C(=N)N3CCCCC3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.53
▸ KCNH2 Q12809 2/20 0.51
▸ KMT2A Q03164 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 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
SCHEMBL8169106 1.00 F10 (0.53) F10KCNH2KMT2AF2PRSS1
SCHEMBL8165299 0.99 F10 (0.52) F10KCNH2KMT2AF2PRSS1
SCHEMBL8164504 0.92 F10 (0.46) F10KCNH2KMT2AF2PRSS1
SCHEMBL8165336 0.92 F10 (0.47) F10KCNH2KMT2AF2PRSS1
SCHEMBL8165335 0.91 F10 (0.47) F10KCNH2KMT2AF2PRSS1
SCHEMBL8169099 0.91 F10 (0.51) F10KCNH2KMT2AF2PRSS1
SCHEMBL8165316 0.85 F2 (0.41) F10KCNH2KMT2AF2PRSS1
SCHEMBL8164570 0.85 F2 (0.55) F10KMT2AF2PRSS1PRSS2
SCHEMBL8165744 0.83 F10 (0.50) F10KCNH2KMT2AF2PRSS1
SCHEMBL8166307 0.82 F10 (0.73) F10KCNH2

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-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 — — US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 — — US disclosed