SCHEMBL9372000

SCHEMBL9372000

COc1ccc(Nc2ccccc2Cl)c(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.55
FABP4 P15090 1/20 0.55
MAPK14 Q16539 1/20 0.49
BTK Q06187 1/20 0.47
TOP1 P11387 1/20 0.46
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43
CLK1 P49759 2/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIN1 Q13526 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
SCHEMBL10784705 0.83 GAA (0.57) FABP3FABP4TOP1GAAALDH1A1
SCHEMBL9375336 0.81 GAA (0.66) MAPK14GAAALDH1A1LMNASMN1; SMN2
SCHEMBL7002680 0.80 GAA (0.64) FABP3FABP4MAPK14TOP1GAA
SCHEMBL4008687 0.77 MEN1 (0.55) FABP3FABP4TOP1GAAALDH1A1
SCHEMBL9732916 0.74 CYP2A6 (0.50) ALDH1A1SMN1; SMN2PTPN1MAPTKDM4E
SCHEMBL7004391 0.73 GAA (0.68) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL16438566 0.73 ALDH1A1 (0.53) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL18415466 0.73 ALDH1A1 (0.53) GAAALDH1A1LMNASMN1; SMN2PTPN1
SCHEMBL4584836 0.73 MAPT (0.62) MAPK14TOP1GAAALDH1A1SMN1; SMN2
SCHEMBL6352626 0.72 L3MBTL1 (0.55) MAPK14BTKGAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0156250-B1 Fluoran compounds HODOGAYA CHEMICAL CO LTD (JP) 1994-07-27 EP disclosed
US-4612558-A XANTHENE, LEUCO DYES HODOGAYA CHEMICAL CO., LTD. (JP) 1986-09-16 US disclosed
EP-0156250-A2 Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1985-10-02 EP disclosed