SCHEMBL9601608

SCHEMBL9601608

Cc1nnc(SCC2(C(=O)O)CS[C@@H]3C(NC(=O)C(=NOC(F)F)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N3C2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.35
▸ NR1I2 O75469 4/20 0.33
▸ PGR P06401 3/20 0.33
▸ TDP1 Q9NUW8 6/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 4/20 0.32
▸ POLB P06746 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ APEX1 P27695 1/20 0.30

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
SCHEMBL9602770 0.91 NR1I2 (0.32) NR1I2PGRTDP1L3MBTL1LMNA
SCHEMBL9601930 0.91 NR1I2 (0.33) NR1I2PGRTDP1L3MBTL1LMNA
SCHEMBL9602264 0.89 NR1I2 (0.43) CTDSP1NR1I2PGRTDP1L3MBTL1
SCHEMBL9600730 0.89 NR1I2 (0.31) NR1I2PGRTDP1L3MBTL1LMNA
SCHEMBL9602520 0.87 NR1I2 (0.43) NR1I2PGRTDP1L3MBTL1MAPT
SCHEMBL9601254 0.87 NR1I2 (0.34) NR1I2PGRTDP1MAPTPOLB
SCHEMBL9600283 0.87 NR1I2 (0.31) NR1I2PGRTDP1L3MBTL1LMNA
SCHEMBL9600364 0.87 NR1I2 (0.31) NR1I2PGRTDP1L3MBTL1LMNA
SCHEMBL9600014 0.87 TDP1 (0.34) NR1I2PGRTDP1L3MBTL1MAPT
SCHEMBL9600499 0.86 NR1I2 (0.37) NR1I2PGR

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
EP-0188254-B1 CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 — — EP disclosed
US-4761410-A MICROBIOCIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-02 — — US disclosed
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