SCHEMBL2200402

SCHEMBL2200402

C[Si](C)(Nc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.39
CTSD P07339 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PTGS2 P35354 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
IDO1 P14902 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL11852672 0.80 TSHR (0.42) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL11956541 0.78 ESR1 (0.37) TDP1ALDH1A1ESR1ESR2MAPK1
SCHEMBL49520 0.76 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL9181403 0.76 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL717181 0.76 TSHR (0.48) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL842024 0.76 ESR1 (0.42) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL2275514 0.74 ESR1 (0.41) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL7105315 0.74 ALDH1A1 (0.43) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL49707 0.74 ALDH1A1 (0.43) TSHRTDP1ALDH1A1HSD17B10CTSD
SCHEMBL16794738 0.74 ALDH1A1 (0.43) TSHRTDP1ALDH1A1HSD17B10CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883948-B2 Methods for extensive dark curing based on visible-light initiated, controlled radical polymerization THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2014-11-11 US disclosed
US-20110166306-A1 Methods For Extensive Dark Curing Based on Visible-Light Initiated, Controlled Radical Polymerization NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-07 US disclosed
WO-2010003026-A1 METHODS FOR EXTENSIVE DARK CURING BASED ON VISIBLE-LIGHT INITIATED, CONTROLLED RADICAL POLYMERIZATION THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-01-07 WO disclosed