SCHEMBL11050848

SCHEMBL11050848

NCCCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCN)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.72
▸ PGR P06401 2/20 0.72
▸ PPARG P37231 2/20 0.62
▸ SLC22A6 Q4U2R8 2/20 0.62
▸ SLC22A8 Q8TCC7 2/20 0.62
▸ SLC22A11 Q9NSA0 2/20 0.62
▸ DAO P14920 1/20 0.62
▸ SNCA P37840 1/20 0.62
▸ CYP2J2 P51589 1/20 0.62
▸ ABCC4 O15439 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TDP1 Q9NUW8 7/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ HTR2C P28335 1/20 0.57
▸ MAPT P10636 3/20 0.55
▸ ALB P02768 1/20 0.55
▸ APEX1 P27695 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ CYP2D6 P10635 1/20 0.54

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
SCHEMBL11050839 1.00 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL11045905 0.96 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL11045901 0.96 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11054931 0.96 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11054950 0.96 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10738910 0.94 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10738903 0.94 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL10739384 0.94 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL10739373 0.94 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11046007 0.94 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8

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-4487767-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US claimed
US-4487767-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
US-4366153-A CEPHALOSPORINS; ANTIBIOTICS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-28 — — US disclosed
EP-0051404-A1 Norbornyl ethers, their preparation and their use in augmenting the aroma of a consumable material, cloth or fabric INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-12 — — EP disclosed
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