SCHEMBL11312385

SCHEMBL11312385

Nc1nc2c(n1S(=O)(=O)N1CCCC1)CCC(C(=O)O)=C2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL11305248 0.99 TSHR (0.36) L3MBTL1TP53TSHRNPSR1
SCHEMBL11307840 0.89 TSHR (0.38) TSHR
SCHEMBL11304223 0.87 L3MBTL1 (0.36) L3MBTL1TP53TSHRNPSR1
SCHEMBL11309668 0.82 ALDH1A1 (0.33) —
SCHEMBL11302734 0.81 CYP3A4 (0.31) —
SCHEMBL11376616 0.80 NOD1 (0.33) L3MBTL1TP53TSHRNPSR1
SCHEMBL11301376 0.78 SMN1; SMN2 (0.33) —
SCHEMBL11302735 0.78 PI4KB (0.36) —
SCHEMBL11311294 0.77 NOD1 (0.50) —
SCHEMBL11307520 0.77 — —

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
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-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 — — US disclosed
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