SCHEMBL27673134

SCHEMBL27673134

Nc1c(-c2ccccc2O)ccc2c3ccccc3n(CCO)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAP3K11 Q16584 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
FABP3 P05413 1/20 0.34
DPP4 P27487 1/20 0.34
BACE1 P56817 2/20 0.33
CASR P41180 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL3880865 0.85 MEN1 (0.42) POLBMAPTATMMEN1KMT2A
SCHEMBL28762589 0.81 HSP90AA1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3875968 0.80 MAPT (0.46) POLBMAPTATMMEN1KMT2A
SCHEMBL3876547 0.76 MAPT (0.45) POLBMAPTATMMEN1KMT2A
SCHEMBL3873949 0.76 SRC (0.50) POLBMAPTATMMEN1KMT2A
SCHEMBL3884395 0.72 MAPT (0.47) POLBMAPTATMMEN1KMT2A
SCHEMBL3887265 0.71 SRC (0.31) KDM4EALDH1A1
SCHEMBL24404728 0.71 MEN1 (0.45) POLBMAPTATMMEN1KMT2A
SCHEMBL149177 0.71 MEN1 (0.63) POLBMAPTATMMEN1KMT2A
SCHEMBL30039386 0.71 MEN1 (0.63) POLBMAPTATMMEN1KMT2A

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