SCHEMBL2402121

SCHEMBL2402121

O=C(Cl)c1cccc2c1-c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
KEAP1 Q14145 4/20 0.48
NFE2L2 Q16236 1/20 0.48
ALOX15 P16050 1/20 0.48
HNF4A P41235 1/20 0.42
NPC1 O15118 2/20 0.42
MYC P01106 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL2076642 0.86 KEAP1 (0.68) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL678363 0.86 ALDH1A1 (0.70) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL20695793 0.82 MAPT (0.53) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL997944 0.82 HNF4A (0.56) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL13201611 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAALOX15HNF4A
SCHEMBL31278212 0.80 ALDH1A1 (0.74) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL3616574 0.80 ALDH1A1 (0.74) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL3616572 0.80 MAPT (0.52) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL6989562 0.79 KEAP1 (0.84) ALDH1A1MAPTLMNAKEAP1NFE2L2
SCHEMBL993303 0.79 ALDH1A1 (0.58) ALDH1A1MAPTLMNAALOX15HNF4A

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
CN-110972530-B Synthesis method of 1-methyl-3, 3-diphenyl urea 西安近代化学研究所 2014-03-26 CN claimed
EP-2017228-B1 PROCESS FOR PRODUCING FRESHWATER TORAY INDUSTRIES (JP) 2013-12-25 EP disclosed
US-20110226695-A1 METHOD FOR PRODUCING FRESH WATER TORAY INDUSTRIES, INC. (JP) 2011-09-22 US disclosed
EP-2017228-A1 PROCESS FOR PRODUCING FRESHWATER TORAY INDUSTRIES, INC. (JP) 2009-01-21 EP disclosed