SCHEMBL12679974

SCHEMBL12679974

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 4/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ GCGR P47871 2/20 0.35
▸ TYMP P19971 1/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL30671670 0.89 PDE4A (0.39) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL30539358 0.89 GCGR (0.45) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL5499337 0.86 ALDH1A1 (0.43) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL3960905 0.79 ALDH1A1 (0.37) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL1930924 0.76 ALDH1A1 (0.43) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL5501718 0.76 ALDH1A1 (0.44) ALDH1A1TRPA1TSHRMAPK1PTPN1
SCHEMBL23232534 0.75 ALDH1A1 (0.41) ALDH1A1TRPA1TSHRMAPTLMNA
SCHEMBL5376614 0.74 ALDH1A1 (0.48) ALDH1A1TRPA1TSHRMAPK1TDP1
SCHEMBL12679970 0.72 GCGR (0.52) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL2813779 0.72 ALDH1A1 (0.40) ALDH1A1TRPA1TSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 — — US disclosed
US-20120298980-A1 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LIMITED (IE) 2012-11-29 — — US disclosed
US-8273467-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2012-09-25 — — US disclosed
US-8273467-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2012-09-25 — — US disclosed
US-20070202358-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-30 — — US disclosed
US-20070202358-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-30 — — US disclosed
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