SCHEMBL11305248

SCHEMBL11305248

Nc1nc2c(n1S(=O)(=O)N1CCCCC1)CCC(C(=O)O)=C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KMT2A Q03164 4/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL11312385 0.99 L3MBTL1 (0.34) TSHRL3MBTL1TP53NPSR1
SCHEMBL11304223 0.88 L3MBTL1 (0.36) TSHRL3MBTL1TP53NPSR1ALDH1A1
SCHEMBL11307840 0.88 TSHR (0.38) TSHRALDH1A1LMNAPOLB
SCHEMBL11302734 0.82 CYP3A4 (0.31) —
SCHEMBL11309668 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11359715 0.80 POLB (0.35) TSHRL3MBTL1TP53NPSR1ALDH1A1
SCHEMBL11376616 0.79 NOD1 (0.33) TSHRL3MBTL1TP53NPSR1ALDH1A1
SCHEMBL11301376 0.77 SMN1; SMN2 (0.33) —
SCHEMBL11302735 0.77 PI4KB (0.36) —
SCHEMBL11307520 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 — — US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 — — US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 — — US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 — — US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 — — US disclosed
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