SCHEMBL10777263

SCHEMBL10777263

CCON=C(C(=O)NC1C(=O)N2C=C(C[n+]3cccc(O)c3)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ NR1I2 O75469 4/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PGR P06401 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ TDP1 Q9NUW8 8/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ HTR2C P28335 1/20 0.34
▸ APEX1 P27695 3/20 0.33
▸ APAF1 O14727 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ PLCG1 P19174 1/20 0.33
▸ ABCC2 Q92887 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL10782260 0.93 KCNH2 (0.49) KCNH2NR1I2PPARGPGRESR1
SCHEMBL11040792 0.92 KCNH2 (0.51) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10780751 0.88 KCNH2 (0.51) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10777276 0.86 KCNH2 (0.49) KCNH2NR1I2PPARGPGRESR1
SCHEMBL11038925 0.84 KCNH2 (0.44) KCNH2NR1I2PPARGPGRESR1
SCHEMBL11360611 0.84 KCNH2 (0.61) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10776197 0.84 KCNH2 (0.61) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10781333 0.82 KCNH2 (0.46) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10529997 0.82 KCNH2 (0.48) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10529990 0.82 KCNH2 (0.48) KCNH2NR1I2PPARGPGRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042154-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-15 — — EP disclosed
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