SCHEMBL9490786

SCHEMBL9490786

CCCCNc1nc(NCC)nc(SC)n1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
SLC29A1 Q99808 1/20 0.42
LMNA P02545 1/20 0.42
KCNH3 Q9ULD8 2/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL2697123 0.89 CYP1A2 (0.58) CYP1A2CYP2C19HTTLMNAKMT2A
SCHEMBL8077062 0.87 KMT2A (0.54) CYP1A2CYP2C19CYP3A4CYP2D6HTT
Simetryn SCHEMBL67522 0.87 LMNA (0.54) CYP1A2CYP2C19HTTLMNAKMT2A
SCHEMBL9913716 0.87 CYP1A2 (0.57) CYP1A2CYP2C19SLC29A1LMNAKCNH3
Simetryn SCHEMBL8409672 0.87 LMNA (0.54) CYP1A2CYP2C19HTTLMNAKMT2A
SCHEMBL2354445 0.83 CYP1A2 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6HTT
SCHEMBL17576117 0.82 HTT (0.44) CYP1A2CYP2C19HTTLMNAKMT2A
SCHEMBL1087677 0.81 MERTK (0.45) CYP1A2CYP2C19CYP3A4CYP2D6KMT2A
SCHEMBL30467037 0.81 MERTK (0.45) CYP1A2CYP2C19CYP3A4CYP2D6KMT2A
SCHEMBL2784348 0.81 KMT2A (0.59) CYP1A2CYP2C19SLC29A1LMNAKCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63190803-A None JP disclosed
EP-4326942-A1 BOOSTED IPBC FOR WET-STATE BACTERIAL CONTROL Troy Technology II, Inc. (US) 2024-02-28 EP disclosed
WO-2023239912-A1 POLYETHERAMINE-BASED MULTIFUNCTIONAL BOOSTER COMPOSITIONS TROY TECHNOLOGY II, INC. (US) 2023-12-14 WO disclosed
WO-2022246218-A9 BOOSTED IPBC FOR WET-STATE BACTERIAL CONTROL TROY TECHNOLOGY II, INC. (US) 2023-09-07 WO disclosed
US-5232484-A Aqueous acid solution; mineralization; absence of large concentrations of organic solvents, chloride and sulfate THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 1993-08-03 US disclosed
JP-S63190803-A HERBICIDAL COMPOSITION SUMITOMO CHEM CO LTD 1988-08-08 JP 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-0182740-A2 Synergistic agents and method for the selective control of weeds, particularly in cereal crops CIBA-GEIGY AG (CH) 1986-05-28 EP disclosed