SCHEMBL8437240

SCHEMBL8437240

Brc1csc(Br)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TYMP P19971 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
IDO1 P14902 1/20 0.33
NOTUM Q6P988 1/20 0.33
FABP4 P15090 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
SCHEMBL10568574 0.82 PTGS1 (0.49) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL22299324 0.79 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL30004446 0.74 CYP2A6 (0.43) CYP2E1CYP2A6CYP2B6KDM4ECYP3A4
SCHEMBL27708293 0.73 MAPK1 (0.34) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL2859453 0.72 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL13319607 0.71 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL16266879 0.70 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTLMNACYP2A6
SCHEMBL8973903 0.69 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL15391391 0.68 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL3396735 0.68 ALDH1A1 (0.42) ALDH1A1MAPK1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643118-B1 El element using polythiophene YAMAMOTO TAKAKAZU (JP) 1999-12-22 EP disclosed
EP-0853113-A1 E1 Element using polythiophene Yamamoto, Takakazu (JP) 1998-07-15 EP disclosed
US-5540999-A MULTILAYER ELECTROLUMINESCENT ELEMENT FORMED BY VACUUM EVAPORATION OF POLYMER LAYER Yamamoto, Takakazu (JP) 1996-07-30 US disclosed
EP-0643118-A1 El element using polythiophene Yamamoto, Takakazu (JP) 1995-03-15 EP disclosed