SCHEMBL9287366

SCHEMBL9287366

C=CCc1cc(N)c2ccccc2c1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.35
SENP3 Q9H4L4 3/20 0.34
SENP2 Q9HC62 3/20 0.34
SENP1 Q9P0U3 3/20 0.34
SUMO2 P61956 2/20 0.34
SUMO1 P63165 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5182533 0.78 CYP2D6 (0.49) POLBMEN1KMT2ACYP2D6GABRA1
SCHEMBL371329 0.76 CYP2D6 (0.43) POLBMEN1KMT2ACYP2D6GABRA1
SCHEMBL18139297 0.75 HPRT1 (0.40) POLBMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL11666020 0.75 CYP2D6 (0.50) POLBMEN1KMT2ACYP2D6GABRA1
SCHEMBL11431459 0.75 CYP2D6 (0.43) POLBMEN1KMT2ACYP2D6GABRA1
SCHEMBL287155 0.75 CYP2D6 (0.42) POLBMEN1KMT2ACYP2D6ALDH1A1
Ammonia Solution, Strong SCHEMBL18140081 0.75 CYP2D6 (0.42) POLBMEN1KMT2ACYP2D6GABRA1
SCHEMBL18140008 0.75 CYP2D6 (0.42) POLBMEN1KMT2ACYP2D6GABRA1
Formaldehyde SCHEMBL3295297 0.75 CYP2D6 (0.42) POLBMEN1KMT2ACYP2D6GABRA1
SCHEMBL18141781 0.75 CYP2D6 (0.42) POLBMEN1KMT2ACYP2D6GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434276-A Process for making N-acyl taurides FINETEX, INC. (US) 1995-07-18 US disclosed
WO-1995018095-A1 PROCESS FOR MAKING N-ACYL TAURIDES FINETEX, INC. (US) 1995-07-06 WO disclosed