SCHEMBL5085800

SCHEMBL5085800

CCCCNc1nc(NCC)nc(OC)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.80
CYP2C19 P33261 2/20 0.80
HTT P42858 3/20 0.45
GBA1 P04062 1/20 0.45
SLC29A1 Q99808 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL10921270 0.91 CYP1A2 (0.65) CYP1A2CYP2C19HTTGBA1SLC29A1
SCHEMBL136258 0.87 CYP1A2 (0.81) CYP1A2CYP2C19HTTLMNAPKM
SCHEMBL9913716 0.87 CYP1A2 (0.57) CYP1A2CYP2C19SLC29A1LMNAKCNH3
SCHEMBL11789553 0.84 CYP1A2 (0.61) CYP1A2CYP2C19HTTLMNAALDH1A1
SCHEMBL25699179 0.82 CYP1A2 (0.74) CYP1A2CYP2C19HTTLMNAALDH1A1
SCHEMBL2784348 0.81 KMT2A (0.59) CYP1A2CYP2C19SLC29A1LMNAKCNH3
SCHEMBL2784426 0.80 SLC29A1 (0.57) CYP1A2CYP2C19GBA1SLC29A1KCNH3
SCHEMBL9913747 0.79 CYP1A2 (0.50) CYP1A2CYP2C19SLC29A1LMNAKCNH3
SCHEMBL11792413 0.79 CYP1A2 (0.81) CYP1A2CYP2C19LMNAALDH1A1KMT2A
SCHEMBL7542293 0.78 CYP1A2 (0.54) CYP1A2CYP2C19HTTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017095335-A1 MICROENCAPSULATED BIOCIDES, COATING COMPOSITIONS WITH MICROENCAPSULATED BIOCIDES AND USE OF COATING COMPOSITIONS FOR FISHING NETS AQUAFIL S.P.A. (IT) 2017-06-08 WO disclosed
WO-2008000797-A2 ANTIMICROBIAL MICROPARTICLES THOR GMBH (DE) 2008-01-03 WO disclosed
US-5635448-A 3-SUBSTITUTED PHENYLPYRAZOLE DERIVATIVES ASAMURA PATENT OFFICE (JP) 1997-06-03 US disclosed
EP-0619946-A1 Herbicidal composition for upland farming and weeding method NIHON NOHYAKU CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0126710-B1 MEANS FOR THE PROTECTION OF CULTIVATED PLANTS FROM THE PHYTOTOXIC EFFECT OF HERBICIDES CIBA-GEIGY AG (CH) 1987-09-30 EP disclosed
EP-0086750-B1 USE OF QUINOLINE DERIVATIVES IN THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed