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SCHEMBL8335485

SCHEMBL8335485

Cn1cc(NC(=O)c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)n(C)c4)n(C)c3)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)n(C)c4)n(C)c3)c(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)n(C)c4)n(C)c3)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)n(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 11/20 0.60
▸ TIMP3 P35625 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENTPD3 O75355 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ CBX7 O95931 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ HTR1A P08908 1/20 0.36

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
SCHEMBL8331365 0.94 HPSE (0.62) HPSETIMP3MEN1USP2RECQL
SCHEMBL8332931 0.93 HPSE (0.66) HPSETIMP3MEN1USP2RECQL
SCHEMBL8335966 0.92 HPSE (0.62) HPSETIMP3MEN1USP2RECQL
SCHEMBL8334446 0.91 HPSE (0.62) HPSETIMP3MEN1USP2RECQL
SCHEMBL8337170 0.91 HPSE (0.66) HPSETIMP3MEN1USP2RECQL
SCHEMBL20514967 0.86 HPSE (0.78) HPSETIMP3MEN1USP2RECQL
SCHEMBL20514936 0.85 HPSE (0.77) HPSETIMP3MEN1USP2RECQL
SCHEMBL20514953 0.85 HPSE (0.77) HPSETIMP3MEN1USP2RECQL
SCHEMBL8334893 0.84 HPSE (0.61) HPSETIMP3MEN1USP2RECQL
SCHEMBL20514982 0.83 HPSE (0.79) HPSETIMP3MEN1USP2RECQL

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
WO-1999000364-A1 POLY-BRANCHED POLYCARBOXAMIDO COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-07 — — WO disclosed