SCHEMBL8868304

SCHEMBL8868304

CSCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OCC(=O)OC(c3ccccc3)c3ccccc3)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.62
▸ HTR2C P28335 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ PPARG P37231 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ SLC22A6 Q4U2R8 2/20 0.60
▸ SLC22A8 Q8TCC7 2/20 0.60
▸ SLC22A11 Q9NSA0 2/20 0.60
▸ ALB P02768 1/20 0.60
▸ PGR P06401 3/20 0.60
▸ TDP1 Q9NUW8 7/20 0.59
▸ APEX1 P27695 3/20 0.59
▸ APAF1 O14727 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PLCG1 P19174 1/20 0.59
▸ ABCC2 Q92887 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ PSMD14 O00487 1/20 0.58

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
SCHEMBL8868312 1.00 NR1I2 (0.62) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL10644623 0.91 TDP1 (0.60) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL10643291 0.91 TDP1 (0.60) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL8868976 0.91 PTGS1 (0.53) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL8868981 0.91 PTGS1 (0.53) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL8869412 0.90 KMT2A (0.50) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL8869406 0.90 KMT2A (0.50) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL10875895 0.89 TDP1 (0.62) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL8867830 0.89 TDP1 (0.73) NR1I2HTR2CKMT2APPARGMAPT
SCHEMBL11391493 0.89 TDP1 (0.73) NR1I2HTR2CKMT2APPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594132-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 — — US disclosed
US-5026695-A Gram negative-gram positive microbiocides, oral adminis tration FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-25 — — US disclosed
US-4904652-A 7-acylamino-3-substituted cephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
US-4462999-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
US-4409215-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-11 — — US disclosed
EP-0029557-A2 7-Acylamino-3-substituted cephalosporanic acid derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-03 — — EP disclosed
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