SCHEMBL10959040

SCHEMBL10959040

CCCNCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
OGG1 O15527 1/20 0.53
CYP27B1 O15528 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
PTGS2 P35354 1/20 0.47
ADRA2C P18825 2/20 0.45
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 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
SCHEMBL11356340 0.85 OGG1 (0.57) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL11372412 0.85 OGG1 (0.60) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL10955545 0.85 OGG1 (0.53) CYP3A4OGG1CYP27B1PDCD1CD274
Hydrochloric Acid SCHEMBL10874250 0.84 OGG1 (0.58) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL11191705 0.83 OGG1 (0.55) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL8757402 0.82 OGG1 (0.58) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL10874515 0.81 OGG1 (0.53) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL10917880 0.81 OGG1 (0.61) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL9665470 0.81 OGG1 (0.61) CYP3A4OGG1CYP27B1PDCD1CD274
SCHEMBL10916395 0.81 OGG1 (0.61) CYP3A4OGG1CYP27B1PDCD1CD274

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
JP-57140768-A None JP disclosed
EP-0054974-B1 IMIDAZOLYLPROPANOL COMPOUNDS AND THEIR ACID ADDITION SALTS, AND PRODUCTION AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-07-10 EP disclosed
JP-S57140768-A IMIDAZOLYLPROPANOL DERIVATIVE SUMITOMO CHEM CO LTD 1982-08-31 JP disclosed
EP-0054974-A1 Imidazolylpropanol compounds and their acid addition salts, and production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-30 EP disclosed