SCHEMBL9814732

SCHEMBL9814732

CCOc1ccc(C)cc1-n1[nH]c(C)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPT P10636 10/20 0.46
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 5/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL9765224 0.84 ALDH1A1 (0.53) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL9765242 0.69 MAPT (0.66) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25575759 0.69 CRBN (0.49) KDM4EMAPTALDH1A1L3MBTL1POLB
SCHEMBL144438 0.69 KDM4E (0.53) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL486125 0.68 MAPT (0.73) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11036136 0.67 KDM4E (0.43) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5528033 0.67 ALDH1A1 (0.62) KDM4EMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL805356 0.66 MAPT (0.61) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10951870 0.66 ALKBH5 (0.49) KDM4EALDH1A1L3MBTL1
SCHEMBL23271829 0.66 KDM4E (0.50) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260562-B1 ASYMMETRIC 1:2 CHROMIUM COMPLEX DYESTUFFS BAYER AG (DE) 1991-08-07 EP disclosed
EP-0260562-A2 Asymmetric 1:2 chromium complex dyestuffs BAYER AG (DE) 1988-03-23 EP disclosed