SCHEMBL11110494

SCHEMBL11110494

CC(C)ON=C(C(=O)NC1C(=O)N2CC(CSc3nnnn3C)(C(=O)O)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.56
▸ PGR P06401 4/20 0.56
▸ PTGS2 P35354 1/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ ABCC2 Q92887 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PSMD14 O00487 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ PPARG P37231 3/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ DAO P14920 1/20 0.42

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
SCHEMBL9600490 0.94 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APAF1
SCHEMBL11181632 0.93 NR1I2 (0.48) NR1I2PGRPTGS2TDP1APAF1
SCHEMBL9659884 0.93 NR1I2 (0.65) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL11374426 0.93 NR1I2 (0.49) NR1I2PGRPTGS2TDP1APAF1
SCHEMBL10739749 0.92 NR1I2 (0.55) NR1I2PGRPTGS2TDP1APAF1
SCHEMBL11004980 0.92 NR1I2 (0.57) NR1I2PGRPTGS2TDP1APAF1
Hydrochloric Acid SCHEMBL10746059 0.92 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APAF1
Hydrochloric Acid SCHEMBL10740147 0.92 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APAF1
SCHEMBL10744052 0.92 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APAF1
SCHEMBL11107647 0.92 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 — — US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 — — US disclosed
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