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SCHEMBL7865331

SCHEMBL7865331

CC(C)(C)c1ccc(CN2C(=O)c3c(c4c5cc(F)c(F)cc5n([C@@H]5O[C@H](COCc6ccccc6)C[C@H](OCc6ccccc6)[C@H]5OCc5ccccc5)c4c4[nH]c5cc(F)c(F)cc5c34)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.38
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ PRKCA P17252 1/20 0.31
▸ MDH2 P40926 1/20 0.30

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
SCHEMBL7865328 1.00 TOP1 (0.38) TOP1SSTR1SSTR2SSTR4SSTR3
SCHEMBL7861934 0.90 TOP1 (0.42) TOP1NQO1PRKCA
SCHEMBL7860505 0.88 TOP1 (0.45) TOP1PRKCA
SCHEMBL7855049 0.87 TOP1 (0.43) TOP1NQO1PRKCA
SCHEMBL7024637 0.86 TOP1 (0.51) TOP1SSTR1SSTR2SSTR4SSTR3
SCHEMBL6731712 0.85 TOP1 (0.47) TOP1PRKCA
SCHEMBL5870241 0.80 TOP1 (0.51) TOP1SSTR1SSTR2SSTR4SSTR3
SCHEMBL5869927 0.80 TOP1 (0.55) TOP1PRKCA
SCHEMBL7031130 0.77 TOP1 (0.54) TOP1PRKCA
SCHEMBL7027394 0.76 TOP1 (0.45) TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971717-B1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2001-12-19 — — EP disclosed
EP-0971717-A4 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2000-04-12 — — EP disclosed
EP-0971717-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES Bristol-Myers Squibb Company (US) 2000-01-19 — — EP disclosed
WO-1998007433-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-26 — — WO disclosed