SCHEMBL7761636

SCHEMBL7761636

O=C(N[Si](c1ccccc1)(c1ccccc1)c1ccccc1)N[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
CES1 P23141 4/20 0.37
ALOX15 P16050 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL8589483 0.81 KMT2A (0.41) TSHRSMN1; SMN2TP53EPHX1EPHX2
SCHEMBL11542487 0.81 HSD17B10 (0.46) TSHRSMN1; SMN2EPHX1TAAR1CES1
SCHEMBL7763785 0.76 ESR1 (0.40) TSHRSMN1; SMN2TP53EPHX1EPHX2
SCHEMBL10766470 0.72 GAA (0.53) TSHRSMN1; SMN2MAPTKDM4EMEN1
SCHEMBL7760178 0.72 HDAC3 (0.37) TSHRSMN1; SMN2TP53EPHX1EPHX2
SCHEMBL146839 0.69 TDP1 (0.35) TSHRSMN1; SMN2ALOX15MAPTKDM4E
SCHEMBL8653284 0.67 KMT2A (0.41) TSHRSMN1; SMN2TP53EPHX1EPHX2
SCHEMBL11315338 0.67 HSD17B10 (0.46) TSHRSMN1; SMN2EPHX1TAAR1CES1
SCHEMBL8763125 0.67 ALDH1A1 (0.44) TSHREPHX1TAAR1MAPTMEN1
SCHEMBL6746851 0.65 HSD17B10 (0.45) TSHREPHX1TAAR1CES1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092714-A2 Process for the synthesis of benzo[b]thiophenes Eli Lilly & Company (US) 2001-04-18 EP disclosed
EP-0830355-A4 PROCESS FOR THE SYNTHESIS OF BENZO(b)THIOPHENES LILLY CO ELI (US) 1998-09-30 EP disclosed
EP-0830362-A4 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0830355-A1 PROCESS FOR THE SYNTHESIS OF BENZO(b)THIOPHENES ELI LILLY AND COMPANY (US) 1998-03-25 EP disclosed
EP-0830362-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1998-03-25 EP disclosed
US-5606075-A CYCLIZATION IN THE PRESENCE OF AN ACID CATALYST ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
WO-1996040677-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040693-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
US-5514826-A INTERMEDIATES FOR 2-ARYLBENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5512701-A REACTING SULFOXIDE DERIVATIVE WITH A SILYATING AGENT TO FORM SULFENATE SILYL ESTER, OPTIONALLY REACTING INTERMEDIATE WITH AN AMINE AND/OR A MERCAPTAN ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed