SCHEMBL5499337

SCHEMBL5499337

BrCc1c(CBr)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ MAPK1 P28482 4/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ EGFR P00533 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL12679974 0.86 ALDH1A1 (0.46) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL3960905 0.77 ALDH1A1 (0.37) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL30671670 0.77 PDE4A (0.39) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL30539358 0.77 GCGR (0.45) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL216526 0.76 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTESR1
SCHEMBL5501718 0.74 ALDH1A1 (0.44) ALDH1A1TRPA1TSHRESR2MAPK1
SCHEMBL1930924 0.74 ALDH1A1 (0.43) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL23232534 0.73 ALDH1A1 (0.41) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL5637259 0.73 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTESR1
SCHEMBL5376614 0.72 ALDH1A1 (0.48) ALDH1A1TRPA1TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 — — EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 — — US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 — — EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 — — US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 — — WO disclosed
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