SCHEMBL3687659

SCHEMBL3687659

[CH](c1ccccc1)C1C=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
SIGMAR1 Q99720 6/20 0.34
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
MAOB P27338 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL2951329 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1NFKB1
SCHEMBL2364504 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1NFKB1
SCHEMBL9370624 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1NFKB1
SCHEMBL29393845 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1NFKB1
SCHEMBL194747 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1ALDH1A1NFKB1
Fluoride SCHEMBL178212 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1NFKB1
Bromide SCHEMBL11875417 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1NFKB1
Hydrochloric Acid SCHEMBL8522502 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1NFKB1
Hydrochloric Acid SCHEMBL8522504 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1NFKB1
Fluoride SCHEMBL29462970 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741417-B2 Preparation of polymerization catalyst activators utilizing indole-modified silica supports EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US claimed
US-20070055028-A1 Preparation of polymerization catalyst activators utilizing indole-modified silica supports EXXONMOBIL CHEMICAL PATENTS INC. 2007-03-08 US claimed
EP-2064248-B1 PREPARATION OF POLYMERIZATION CATALYST ACTIVATORS UTILIZING INDOLE-MODIFIED SILICA SUPPORTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-10-10 EP disclosed
US-7741417-B2 Preparation of polymerization catalyst activators utilizing indole-modified silica supports EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US disclosed
EP-2064248-A1 PREPARATION OF POLYMERIZATION CATALYST ACTIVATORS UTILIZING INDOLE-MODIFIED SILICA SUPPORTS ExxonMobil Chemical Patents Inc. (US) 2009-06-03 EP disclosed
WO-2008027116-A1 PREPARATION OF POLYMERIZATION CATALYST ACTIVATORS UTILIZING INDOLE-MODIFIED SILICA SUPPORTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-03-06 WO disclosed
US-20070055028-A1 Preparation of polymerization catalyst activators utilizing indole-modified silica supports EXXONMOBIL CHEMICAL PATENTS INC. 2007-03-08 US disclosed