SCHEMBL8685809

SCHEMBL8685809

Cc1cc(C)c2c(O)cc(C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
LMNA P02545 5/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ELANE P08246 2/20 0.37
HTT P42858 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
CYP1A2 P05177 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
NUDT1 P36639 1/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
SELE P16581 1/20 0.34

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
SCHEMBL30592750 0.83 KDM4E (0.44) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL3333058 0.77 IGFBP3 (0.47) KDM4EMAPTALDH1A1ELANETDP1
SCHEMBL439466 0.76 NCF1 (0.44) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL8686911 0.76 LMNA (0.47) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL8872898 0.76 KDM4E (0.42) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL11100714 0.74 MAPT (0.49) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL9180938 0.71 GAA (0.56) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL30666580 0.71 TDP1 (0.39) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL15031914 0.71 TDP1 (0.39) KDM4ELMNAMAPTGAAALDH1A1
SCHEMBL28842256 0.69 POLB (0.41) LMNAMAPTALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756517-A BACTERICIDES AND BRAIN DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed