SCHEMBL9137481

SCHEMBL9137481

CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])c1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
TAS2R10 Q9NYW0 1/20 0.49
HSD17B10 Q99714 1/20 0.48
TAS2R14 Q9NYV8 11/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CXCR3 P49682 2/20 0.40
PTGES O14684 1/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
ABCC2 Q92887 1/20 0.40

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
SCHEMBL9131875 0.96 KMT2A (0.52) MEN1KMT2ATSHRLMNACYP2D6
SCHEMBL9131879 0.95 TSHR (0.53) MEN1KMT2ATSHRHSD17B10TAS2R14
SCHEMBL9137485 0.95 TSHR (0.53) MEN1KMT2ATSHRHSD17B10TAS2R14
Terephthalic Acid SCHEMBL8434102 0.92 TSHR (0.55) MEN1KMT2ATSHRLMNACYP2D6
SCHEMBL9132276 0.88 TSHR (0.51) MEN1KMT2ATSHRHSD17B10TAS2R14
Tetrylammonium SCHEMBL9131396 0.87 CA2 (0.46) KMT2ATSHRHSD17B10TAS2R14L3MBTL1
Terephthalic Acid SCHEMBL8434094 0.87 LMNA (0.59) MEN1KMT2ATSHRLMNACYP2D6
SCHEMBL9132260 0.85 TSHR (0.50) MEN1KMT2ATSHRLMNACYP2D6
Benzoic Acid SCHEMBL236709 0.84 MEN1 (0.62) MEN1KMT2ATSHRLMNACYP2D6
Terephthalic Acid SCHEMBL8434098 0.84 ALDH1A1 (0.52) MEN1KMT2ATSHRLMNACYP2D6

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
US-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed