SCHEMBL8599528

SCHEMBL8599528

COc1cc(S)cc(OC)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 3/20 0.38
NPC1 O15118 1/20 0.38
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 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
SCHEMBL9323197 0.78 ALDH1A1 (0.54) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL5162970 0.78 MAPT (0.50) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL5028318 0.76 ACHE (0.59) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL1337937 0.76 ACHE (0.59) MAPTALDH1A1CYP3A4L3MBTL1GAA
SCHEMBL1122691 0.76 TUBB4A (0.55) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL13535556 0.76 RXFP1 (0.41) MAPTALDH1A1CYP3A4POLBGAA
SCHEMBL3361609 0.74 MAPT (0.41) MAPTNPSR1ALDH1A1CYP3A4POLB
SCHEMBL3549185 0.74 MAPT (0.46) MAPTNPSR1EP300ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5265528 0.74 ALDH1A1 (0.58) MAPTNPSR1EP300ALDH1A1CYP3A4
SCHEMBL5981479 0.74 ALDH1A1 (0.46) MAPTNPSR1EP300ALDH1A1CYP3A4

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-0614930-B1 Modified gelatin types and hydrophilic elements containing them AGFA GEVAERT NV (BE) 1998-02-04 EP disclosed
US-5439791-A Having amino, sulfinic acid or thiol end groups; enhanced reactivity with vinylsulfonyl hardeners AGFA-GEVAERT, N.V. (BE) 1995-08-08 US disclosed
EP-0614930-A1 Modified gelatin types and hydrophilic elements containing them AGFA-GEVAERT N.V. (BE) 1994-09-14 EP disclosed