SCHEMBL8723840

SCHEMBL8723840

Cc1cccc2c1Sc1c(C)cccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NOX1 Q9Y5S8 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 2/20 0.41
ACHE P22303 2/20 0.41
POLB P06746 2/20 0.41
BCHE P06276 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL7235228 0.86 NOX1 (0.59) GAAMAPTMEN1KMT2ANOX1
SCHEMBL9475260 0.80 NOX1 (0.42) GAAMAPTMEN1KMT2ANOX1
SCHEMBL23702354 0.74 GGT1 (0.33)
SCHEMBL10561997 0.71 GABRA1 (0.46) GAAMAPTMEN1KMT2ANOX1
SCHEMBL3423172 0.70 CA1 (0.43) GAAMAPTMEN1KMT2ANOX1
Phenothiazine SCHEMBL10383573 0.70 NOX1 (0.77) GAAMAPTMEN1KMT2ANOX1
SCHEMBL24858844 0.70 CA1 (0.39) MEN1KMT2ACYP1A2ACHECA1
SCHEMBL13293470 0.68 CA1 (0.37) CYP1A2ACHECA1CA2CA7
SCHEMBL8051363 0.67
SCHEMBL12016687 0.67 CREBBP (0.48) GAAMAPTMEN1KMT2ANOX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756356-A COLORIMETRIC TOYO INK MANUFACTURING CO., LTD. (JP) 1998-05-26 US disclosed
EP-0735368-A1 Method of indicating time or temperature-time accumulated value as color change, and materials therefor TOYO INK MANUFACTURING CO., LTD. (JP) 1996-10-02 EP disclosed
US-4803269-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-02-07 US disclosed
US-4707473-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-11-17 US disclosed