SCHEMBL11111305

SCHEMBL11111305

CCCCCCON=C(C(=O)NC1C(=O)N2CC(CSc3cnn[nH]3)(C(=O)O)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ ABCC2 Q92887 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PSMD14 O00487 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ NR1I2 O75469 6/20 0.41
▸ PGR P06401 4/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ PPARG P37231 3/20 0.39
▸ SLC22A6 Q4U2R8 2/20 0.39
▸ SLC22A8 Q8TCC7 2/20 0.39
▸ SLC22A11 Q9NSA0 2/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL11102326 0.95 TDP1 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL11104996 0.93 TDP1 (0.44) TDP1APAF1APEX1LMNATSHR
SCHEMBL10744103 0.92 TDP1 (0.44) TDP1APAF1APEX1LMNATSHR
SCHEMBL11109200 0.90 NR1I2 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL11105490 0.90 TDP1 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL10741606 0.89 NR1I2 (0.42) TDP1APAF1APEX1LMNATSHR
SCHEMBL11108566 0.88 TDP1 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL11012981 0.88 NR1I2 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL11109214 0.87 NR1I2 (0.54) TDP1APAF1APEX1LMNATSHR
SCHEMBL11105361 0.86 NR1I2 (0.54) TDP1APAF1APEX1LMNATSHR

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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