SCHEMBL11054850

SCHEMBL11054850

C=CCON=C(C(=O)NC1C(=O)N2C=C(C[n+]3ccccc3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.55
▸ PPARG P37231 2/20 0.55
▸ PGR P06401 2/20 0.55
▸ ESR1 P03372 2/20 0.55
▸ TDP1 Q9NUW8 8/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ APEX1 P27695 3/20 0.54
▸ APAF1 O14727 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PLCG1 P19174 1/20 0.54
▸ ABCC2 Q92887 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.54
▸ PSMD14 O00487 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MAPT P10636 4/20 0.47
▸ ABCC4 O15439 2/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL10973957 0.89 NR1I2 (0.55) NR1I2PPARGPGRESR1TDP1
SCHEMBL10973953 0.89 NR1I2 (0.55) NR1I2PPARGPGRESR1TDP1
SCHEMBL11038925 0.88 KCNH2 (0.44) NR1I2PPARGPGRESR1TDP1
SCHEMBL10969721 0.86 NR1I2 (0.53) NR1I2PPARGPGRESR1TDP1
SCHEMBL10969724 0.86 NR1I2 (0.53) NR1I2PPARGPGRESR1TDP1
SCHEMBL10417886 0.86 TDP1 (0.61) NR1I2PPARGPGRESR1TDP1
SCHEMBL10637724 0.85 NR1I2 (0.54) NR1I2PPARGPGRESR1TDP1
SCHEMBL10638910 0.85 NR1I2 (0.54) NR1I2PPARGPGRESR1TDP1
SCHEMBL10967166 0.83 NR1I2 (0.77) NR1I2PPARGPGRESR1TDP1
SCHEMBL11357010 0.83 NR1I2 (0.77) 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-0045937-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-11-13 — — EP claimed
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