SCHEMBL7529082

SCHEMBL7529082

O=CNc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM5A P29375 2/20 0.34
MAPK1 P28482 3/20 0.33
AHR P35869 1/20 0.33
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PABPC1 P11940 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28888326 0.82 TSHR (0.46) MAOBALDH1A1KDM5ATSHRTDP1
SCHEMBL12464136 0.82 TSHR (0.46) MAOBALDH1A1KDM5ATSHRTDP1
SCHEMBL10186927 0.78 MAOB (0.31) MAOBKDM5A
SCHEMBL28389628 0.78 MAOB (0.49) MAOBALDH1A1MAPK1TSHRMAPT
SCHEMBL5542704 0.75 HPGD (0.36) MCL1ALDH1A1MAPK1AHRTSHR
SCHEMBL1758631 0.75 MEN1 (0.50) MCL1ALDH1A1TDP1HPGDMAPT
SCHEMBL30132193 0.75 CA1 (0.50) MCL1ALDH1A1TSHRTDP1HPGD
SCHEMBL325006 0.75 CA1 (0.50) MCL1ALDH1A1TSHRTDP1HPGD
SCHEMBL25659179 0.73 MAOB (0.46) MAOBALDH1A1MAPK1TSHRTDP1
SCHEMBL5519988 0.73 ALDH1A1 (0.41) ALDH1A1KDM5ATDP1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
EP-0280252-B1 Silver halide photographic material and method for forming super high contrast image therewith FUJI PHOTO FILM CO LTD (JP) 1994-01-12 EP disclosed
US-4965170-A REDUCIBLE, TIME-RELEASING DYE COMPOUND; NONDIFFUSING; ANTISOILANTS; ALSO INCLUDING A HIGH-CONTRAST HYDRAZINE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1990-10-23 US disclosed
EP-0280252-A2 Silver halide photographic material and method for forming super high contrast image therewith FUJI PHOTO FILM CO., LTD. (JP) 1988-08-31 EP disclosed