SCHEMBL8159972

SCHEMBL8159972

S=CN[CH]c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAOB P27338 2/20 0.38
TSHR P16473 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOX1 Q9Y5S8 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPK1 P28482 2/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOA P21397 1/20 0.32
TRPA1 O75762 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 2/20 0.31

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
SCHEMBL446252 0.83 ALDH1A1 (0.45) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL398575 0.76 ALDH1A1 (0.52) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL5098432 0.69
SCHEMBL8164 0.67
SCHEMBL8851768 0.67
SCHEMBL4159814 0.67
SCHEMBL176876 0.67
Hydrochloric Acid SCHEMBL28457481 0.65 ALDH1A1 (0.45) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL2686341 0.65 ALDH1A1 (0.52) ALDH1A1MAOBTSHRCYP2A6LMNA
SCHEMBL21379865 0.64 POLB (0.41) ALDH1A1TSHRLMNAHDAC3HDAC4

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
US-6037452-A Poly(alkylene oxide)-Factor VIII or Factor IX conjugate ALPHA THERAPEUTIC CORPORATION (US) 2000-03-14 US disclosed
WO-1993000109-A1 METHOD OF STIMULATING IMMUNE RESPONSE USING GROWTH HORMONE GENENTECH, INC. (US) 1993-01-07 WO disclosed
US-4179337-A POLYALKYLENE GLYCOL LINKED TO POLYPEPTIDE THROUGH COUPLER RESEARCH CORPORATION TECHNOLOGIES, INC., A NOT-FOR-PROFIT, NON-STOCK CORP. OF DE 1979-12-18 US disclosed