SCHEMBL9600490

SCHEMBL9600490

Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NOC(F)F)c3csc(N)n3)C(=O)N2C1

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 5/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ APAF1 O14727 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
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 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
SCHEMBL11110494 0.94 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL9602336 0.93 NR1I2 (0.48) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL9659884 0.92 NR1I2 (0.65) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL9600756 0.92 NR1I2 (0.47) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL11004980 0.91 NR1I2 (0.57) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL11107647 0.91 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APEX1
Hydrochloric Acid SCHEMBL10746059 0.91 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL10744052 0.91 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APEX1
Hydrochloric Acid SCHEMBL10740147 0.91 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APEX1
SCHEMBL10745848 0.91 NR1I2 (0.56) NR1I2PGRPTGS2TDP1APEX1

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 3 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
EP-0188254-A2 Cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 — — EP disclosed
Send feedback