SCHEMBL7162786

SCHEMBL7162786

C#C[C@@]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cnc3c(=O)[nH]c(NC(C)=O)nc32)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PNP P00491 1/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HINT1 P49773 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NT5E P21589 5/20 0.35
▸ IMPDH2 P12268 1/20 0.34

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
SCHEMBL18490329 0.84 TAS1R3 (0.49) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL7158740 0.80 PRMT6 (0.41) —
SCHEMBL7162040 0.76 RNASE1 (0.47) MEN1KMT2AALDH1A1NT5E
SCHEMBL7162782 0.76 NT5E (0.47) MEN1KMT2ANT5E
SCHEMBL7157425 0.75 NT5E (0.40) MEN1KMT2AALDH1A1NT5E
SCHEMBL7162036 0.75 MEN1 (0.38) MEN1KMT2ATSHRALDH1A1NT5E
SCHEMBL16214948 0.73 TAS1R3 (0.44) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL7165048 0.73 ALDH1A1 (0.36) MEN1KMT2AALDH1A1NT5E
SCHEMBL15929488 0.73 TAS1R3 (0.42) TAS1R3TAS1R1MEN1KMT2ATSHR
SCHEMBL7037107 0.72 NT5E (0.44) MEN1KMT2AALDH1A1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747389-B1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2003-09-10 — — EP disclosed
US-RE38090-E1 Antitumor activity; useful for treatment and prevention of cancers Matsuda, Akira (JP) 2003-04-22 — — US disclosed
EP-0747389-A1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 — — EP disclosed
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