SCHEMBL9251633

SCHEMBL9251633

Cc1ccccc1[N]CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SIGMAR1 Q99720 7/20 0.39
TSHR P16473 3/20 0.38
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PABPC1 P11940 1/20 0.38
ALOX15 P16050 1/20 0.38
EBP Q15125 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 4/20 0.36

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
SCHEMBL5982449 0.82 TSHR (0.41) CYP2C9ESR1ESR2SIGMAR1TSHR
SCHEMBL28552697 0.79 SIGMAR1 (0.41) CYP2C9ESR1ESR2SIGMAR1TSHR
SCHEMBL4791497 0.75 ALPL (0.38) CYP2C9ESR1ESR2SIGMAR1TSHR
SCHEMBL442008 0.75 TSHR (0.43) CYP2C9ESR1ESR2SIGMAR1TSHR
SCHEMBL5911059 0.74 ALPL (0.38) CYP2C9ESR1ESR2TSHRACHE
SCHEMBL9636677 0.72 P2RX7 (0.39) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL3952058 0.71 CYP1A2 (0.46) CYP2C9SIGMAR1TSHRGRIN2DGRIN3B
O-Xylene SCHEMBL80205 0.70 ACHE (0.67) TSHRACHEMAPTL3MBTL1ALDH1A1
SCHEMBL11140166 0.70 NOS2 (0.39) CYP2C9ESR1ESR2SIGMAR1TSHR
SCHEMBL11328739 0.68 CYP2C9 (0.37) CYP2C9ESR1ESR2SIGMAR1TSHR

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-0428482-B1 Reactive dyes, process for their preparation and their use CIBA GEIGY AG (CH) 1995-05-31 EP disclosed
US-5136028-A Red; colorfastness CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed
EP-0428482-A1 Reactive dyes, process for their preparation and their use CIBA-GEIGY AG (CH) 1991-05-22 EP disclosed