SCHEMBL8954645

SCHEMBL8954645

N=C(N)Nc1cccc(C[C@](N)(C(=O)N2Cc3ccccc3CC2C(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.40
▸ F2 P00734 2/20 0.37
▸ POLB P06746 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PLG P00747 3/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PRSS1 P07477 2/20 0.35
▸ PROC P04070 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ CAPN1 P07384 1/20 0.35

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
SCHEMBL9665510 0.89 F10 (0.38) F10F2PLGPROCPLAU
SCHEMBL8954783 0.88 F10 (0.49) F10F2PLGPROCPLAU
SCHEMBL8954875 0.85 F10 (0.44) F10F2PLGPRSS1PLAU
SCHEMBL8954843 0.84 MMP8 (0.38) F10POLBTDP1BCL2BCL2L1
SCHEMBL8955038 0.84 F10 (0.47) F10F2PLGPRSS1PLAU
SCHEMBL8954856 0.81 F10 (0.50) F10F2PLGPRSS1PLAU
SCHEMBL8954624 0.81 F10 (0.41) F10F2PLGPRSS1PLAU
SCHEMBL8954679 0.80 F10 (0.43) F10F2PLGPRSS1PROC
SCHEMBL8954996 0.80 F10 (0.39) F10PLAU
SCHEMBL8954799 0.77 F10 (0.48) F10F2PLGPRSS1PROC

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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