SCHEMBL8044594

SCHEMBL8044594

Nc1nc2ncc(CNc3ccc(C(=O)NC(CC(I)C(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.77
▸ TYMS P04818 3/20 0.77
▸ KDM4E B2RXH2 1/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ ALDH1A1 P00352 1/20 0.77
▸ POLB P06746 1/20 0.77
▸ GAA P10253 1/20 0.77
▸ HPGD P15428 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ PTGS2 P35354 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ HSD17B10 Q99714 1/20 0.77
▸ TDP1 Q9NUW8 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.56
▸ DHFR P00374 7/20 0.55
▸ GART P22102 2/20 0.53
▸ ATIC P31939 1/20 0.53

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
SCHEMBL30174303 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15094347 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28226859 0.91 AKR1B1 (0.80) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL11897941 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL29423667 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL869875 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30634933 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL16150298 0.90 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15530422 0.90 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL6679712 0.90 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831728-A2 MINERAL SUPPLEMENTS FOR DIETETIC FOOD CAMPBELL SOUP COMPANY (US) 1998-04-01 — — EP claimed
WO-1996039053-A2 MINERAL SUPPLEMENTS FOR DIETETIC FOOD CAMPBELL SOUP COMPANY (US) 1996-12-12 — — WO claimed
US-6039978-A HOMOGENOUS FREE-FLOWING POWDER FOOD ENHANCING AGENT WITH CALCIUM, MAGNESIUM PHOSPHOROUS USING DICALCIUM PHOSPHATE, CALCIUM CITRATE AND MAGNESIUM PHOSPHATE CAMPBELL SOUP COMPANY (US) 2000-03-21 — — US disclosed
US-6039989-A PREPACKAGED THERAPUTIC MEALS FOR DIETS CAMPBELL SOUP COMPANY (US) 2000-03-21 — — US disclosed
US-5994295-A ADMINISTERING PREPACKAGED MEALS CAMPBELL SOUP COMPANY (US) 1999-11-30 — — US disclosed
US-5977059-A THERAPY FOR DIET RESPONSIVE CONDITIONS CAMPBELL SOUP COMPANY (US) 1999-11-02 — — US disclosed
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