SCHEMBL11038925

SCHEMBL11038925

C=CCON=C(C(=O)NC1C(=O)N2C=C(C[n+]3ccccc3)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ NR1I2 O75469 4/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ TDP1 Q9NUW8 6/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ APAF1 O14727 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MAPT P10636 2/20 0.35
▸ ABCC4 O15439 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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 0.93 KCNH2 (0.51) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10598563 0.88 NR1I2 (0.36) KCNH2NR1I2PPARGPGRESR1
SCHEMBL11041776 0.88 NR1I2 (0.43) KCNH2NR1I2PPARGPGRESR1
SCHEMBL11054850 0.88 NR1I2 (0.55) NR1I2PPARGPGRESR1TDP1
SCHEMBL10603547 0.86 NR1I2 (0.36) KCNH2NR1I2PPARGPGRESR1
SCHEMBL11040842 0.86 NR1I2 (0.44) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10601230 0.86 KCNH2 (0.37) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10851777 0.86 TDP1 (0.45) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10780751 0.85 KCNH2 (0.51) KCNH2NR1I2PPARGPGRESR1
SCHEMBL10604222 0.85 KCNH2 (0.36) 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-0027599-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 — — EP claimed
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