SCHEMBL7309901

SCHEMBL7309901

C1=NNCc2ccccc21.c1ccc2c(c1)CNNC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
TRPA1 O75762 1/20 0.36
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29696017 0.92 PARP1 (0.42) PARP1TRPA1PNMTCD44MAOB
SCHEMBL213709 0.92 PARP1 (0.42) PARP1TRPA1PNMTCD44MAOB
SCHEMBL6488209 0.90 PARP1 (0.41) PARP1TRPA1PNMTCD44MAOB
Formic Acid SCHEMBL28778115 0.81 PARP1 (0.35) PARP1TRPA1
SCHEMBL29374426 0.73 PNMT (0.50) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL214465 0.73 PNMT (0.50) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL4969401 0.72 HTR2C (0.43) PARP1TRPA1PNMTCD44MAOB
SCHEMBL19540042 0.69 TSHR (0.39) TRPA1PNMTCD44MAOB
SCHEMBL29412535 0.67 PNMT (0.37) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL4166260 0.67 PNMT (0.37) PNMTCD44MAOBALOX15HSD17B10

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-0769498-A1 Sulfonamide derivatives with elastase inhibiting activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-04-23 EP disclosed