SCHEMBL9835934

SCHEMBL9835934

CC(C)Oc1cc(NC(=O)Cl)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
DHODH Q02127 12/20 0.41
RORC P51449 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRPF1 P55201 1/20 0.38
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
POLB P06746 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL9836594 0.88 RORC (0.47) KCNQ3KCNQ2DHODHRORCNPC1
SCHEMBL9834543 0.87 DHODH (0.43) KCNQ3KCNQ2DHODHRORCNPC1
SCHEMBL9836306 0.82 POLB (0.43) KCNQ3KCNQ2NPC1LMNARAB9A
SCHEMBL9836947 0.76 GAA (0.56) KCNQ3KCNQ2RORCLMNABRPF1
SCHEMBL20560725 0.75 CA12 (0.44) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL29177325 0.75 DHODH (0.44) KCNQ3KCNQ2DHODHRORCNPC1
SCHEMBL10576407 0.75 RORC (0.46) KCNQ3KCNQ2DHODHRORCNPC1
SCHEMBL9836975 0.73 NPSR1 (0.55) NPC1LMNARAB9ASMN1; SMN2POLB
SCHEMBL11211663 0.73 DHODH (0.46) KCNQ3KCNQ2DHODHRORCNPC1
SCHEMBL11916150 0.71 KCNQ3 (0.34) KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed