SCHEMBL11040842

SCHEMBL11040842

Nc1nc(C(=NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NC2C(=O)N3C=C(C[n+]4ccccc4)CS[C@@H]23)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.44
▸ PPARG P37231 2/20 0.44
▸ PGR P06401 2/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ TDP1 Q9NUW8 5/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KCNH2 Q12809 1/20 0.41
▸ HTR2C P28335 1/20 0.33
▸ APAF1 O14727 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PLCG1 P19174 1/20 0.33
▸ ABCC2 Q92887 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ SLC22A6 Q4U2R8 2/20 0.32

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
SCHEMBL11040792 0.88 KCNH2 (0.51) NR1I2PPARGPGRESR1TDP1
SCHEMBL11041776 0.87 NR1I2 (0.43) NR1I2PPARGPGRESR1TDP1
SCHEMBL11038925 0.86 KCNH2 (0.44) NR1I2PPARGPGRESR1TDP1
SCHEMBL11045887 0.84 NR1I2 (0.64) NR1I2PPARGPGRESR1TDP1
SCHEMBL11045889 0.84 NR1I2 (0.64) NR1I2PPARGPGRESR1TDP1
SCHEMBL11038988 0.83 NR1I2 (0.53) NR1I2PPARGPGRESR1TDP1
SCHEMBL11179688 0.83 NR1I2 (0.53) NR1I2PPARGPGRESR1TDP1
SCHEMBL11038993 0.83 NR1I2 (0.53) NR1I2PPARGPGRESR1TDP1
SCHEMBL11038984 0.83 NR1I2 (0.53) NR1I2PPARGPGRESR1TDP1
SCHEMBL11040357 0.82 KCNH2 (0.47) NR1I2PPARGPGRESR1TDP1

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-0027599-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 — — EP disclosed
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