SCHEMBL11741002

SCHEMBL11741002

CCN(CCO)c1nnc(-c2ccc([S+](C)[O-])cc2)c(-c2ccc([S+](C)[O-])cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL11747846 0.91 SLC29A1 (0.32) SLC29A1HPGDRECQL
SCHEMBL11745513 0.85 CA12 (0.33) —
SCHEMBL11746332 0.84 — —
SCHEMBL11747861 0.81 SLC29A1 (0.37) SLC29A1MEN1KMT2AHPGDRECQL
SCHEMBL11743535 0.80 — —
SCHEMBL11748724 0.80 RAD51 (0.30) —
SCHEMBL11744957 0.80 RAD51 (0.30) —
SCHEMBL11749040 0.80 PTGES (0.46) MEN1KMT2AHPGD
SCHEMBL11749947 0.77 NUDT1 (0.35) —
SCHEMBL11748846 0.74 POLB (0.30) —

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
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — US disclosed
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