SCHEMBL27653145

SCHEMBL27653145

Nc1cc(-c2ccc(O)cc2)c2c(c1)c1ccccc1n2CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
WEE1 P30291 2/20 0.38
CHEK1 O14757 1/20 0.38
RET P07949 1/20 0.37
ESR1 P03372 2/20 0.36
BACE1 P56817 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL27653147 0.85 KDM4E (0.40) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27673099 0.83 MAPT (0.40) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27673154 0.83 RET (0.50) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL3884395 0.82 MAPT (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27673158 0.82 WEE1 (0.45) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL3885447 0.81 KDM4E (0.45) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27673128 0.81 POLB (0.38) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27673088 0.78 MAPT (0.46) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27673127 0.78 MAPT (0.46) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL27673117 0.77 POLB (0.40) KDM4EMAPTMEN1KMT2AALDH1A1

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
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed