SCHEMBL7736172

SCHEMBL7736172

COC(=O)c1ccc(CC#N)cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7735941 0.83 CA1 (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL7933507 0.83 LOXL2 (0.45) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL21962901 0.81 KMT2A (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL7735252 0.81 CA2 (0.40) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL9826820 0.81 RXFP1 (0.44) ALDH1A1PKMSMN1; SMN2
SCHEMBL18896036 0.80 KMT2A (0.43) ALDH1A1KDM4EHSD17B10TSHRKMT2A
SCHEMBL7935254 0.80 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL7727241 0.78 ALDH1A1 (0.39) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL7563166 0.78 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL18879564 0.77 HDAC3 (0.37) ALDH1A1KDM4EMAPTHPGDHSD17B10

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-6410483-B1 CONTROLLING WEEDS, GRASSES; COMPOUND CONTAINING PYRIMIDINE RING HOECHST SCHERING AGREVO GMBH (DE) 2002-06-25 US disclosed