SCHEMBL9014232

SCHEMBL9014232

CCOCO.Nc1nc(N)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.36
NOS1 P29475 1/20 0.33
CYP1A2 P05177 1/20 0.33
CASP1 P29466 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NCF1 P14598 1/20 0.32
NUDT1 P36639 2/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7561519 0.84 CASP1 (0.39) LMNASMN1; SMN2CYP1A2CASP1NPC1
Ether SCHEMBL917077 0.84 LMNA (0.41) LMNASMN1; SMN2ALDH1A1NOS1CYP1A2
2-Ethoxyethanol SCHEMBL11177096 0.81 ALDH1A1 (0.64) LMNASMN1; SMN2ALDH1A1NOS1CYP1A2
Alcohol SCHEMBL8078657 0.78 LMNA (0.46) LMNASMN1; SMN2ALDH1A1CYP1A2CASP1
SCHEMBL4363406 0.78 TSHR (0.46) LMNANOS1CYP1A2CASP1TSHR
SCHEMBL12255 0.78
Ether SCHEMBL9622039 0.77 LMNA (0.37) LMNASMN1; SMN2ALDH1A1NOS1CYP1A2
SCHEMBL736034 0.76 LMNA (0.40) LMNASMN1; SMN2ALDH1A1CYP1A2CASP1
SCHEMBL10908182 0.76 LMNA (0.40) LMNASMN1; SMN2ALDH1A1CYP1A2CASP1
SCHEMBL1011368 0.75 CDK1 (0.37) LMNACYP1A2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470280-B1 Method for manufacturing polymeric coated steel wires for rubber reinforcement TOKYO ROPE MFG CO (JP) 1996-12-11 EP disclosed
US-5173341-A Coating wire with triazine-thiol derivative, drawing wire thorugh bath, polymerizing triazine-thiol TOKYO ROPE MFG. CO., LTD. (JP) 1992-12-22 US disclosed
EP-0470280-A1 Method for manufacturing polymeric coated steel wires for rubber reinforcement TOKYO ROPE MANUFACTURING CO., LTD. (JP) 1992-02-12 EP disclosed