SCHEMBL8429962

SCHEMBL8429962

CN(C)c1ccncc1.Cc1ccc(O)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
ESR2 Q92731 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 3/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NSD2 O96028 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 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
Pyridine SCHEMBL126094 0.82 ESR2 (0.49) POLBRECQLESR2L3MBTL1HPGD
SCHEMBL121153 0.81 LMNA (0.53) POLBRECQLESR2L3MBTL1HPGD
SCHEMBL528465 0.81 CHRM5 (0.50) CHRM5CHKAL3MBTL1ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL1924833 0.79 LMNA (0.51) POLBRECQLESR2L3MBTL1HPGD
Hydrochloric Acid SCHEMBL5858440 0.79 LMNA (0.51) POLBRECQLESR2L3MBTL1HPGD
Water SCHEMBL3002925 0.79 LMNA (0.51) POLBRECQLESR2L3MBTL1HPGD
Acetic Acid SCHEMBL1232489 0.75 LMNA (0.47) POLBRECQLESR2HPGDLMNA
Ethylene Glycol SCHEMBL6331832 0.75 LMNA (0.51) POLBRECQLESR2HPGDLMNA
SCHEMBL3369695 0.74 LMNA (0.51) POLBRECQLESR2L3MBTL1HPGD
Isopropylamine SCHEMBL2350745 0.73 LMNA (0.46) POLBRECQLESR2HPGDLMNA

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
EP-0656026-B1 POLYARYLATES CONTAINING DERIVATIVES OF THE NATURAL AMINO ACID L-TYROSINE UNIV RUTGERS (US) 1999-11-17 EP claimed