SCHEMBL7947323

SCHEMBL7947323

COc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3cnn(C(C)(C)C)c3OC(C)=O)c2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
PREP P48147 1/20 0.33
BACE1 P56817 1/20 0.33
PTGS2 P35354 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
MDM2 Q00987 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL5000921 0.88 MAPK1 (0.35) LMNAMAPK1GAAMAPTPOLB
SCHEMBL7949491 0.84 PARP1 (0.36) LMNAMAPK1GAACYP3A4CYP2C9
SCHEMBL7948257 0.80 MAPK1 (0.36) LMNAMAPK1CYP2C9CYP2C19MAPT
SCHEMBL7948308 0.80 PTGS2 (0.32) LMNAPOLBPTGS2ALDH1A1
SCHEMBL7948205 0.79 MELK (0.33)
SCHEMBL7951450 0.79 GAA (0.34) MAPK1GAAMAPTPTGS2MEN1
SCHEMBL7949538 0.79 FYN (0.32)
SCHEMBL7949475 0.78 MELK (0.34) PTGS2KDM4EALDH1A1PTGS1
SCHEMBL7947385 0.78 PTGS2 (0.36) MAPTPTGS2PKMRAB9ASMN1; SMN2
SCHEMBL7939695 0.78 MAPK1 (0.37) MAPK1GAAMAPTPOLBPTGS2

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-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed