SCHEMBL250445

SCHEMBL250445

C=CCNC(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
RIPK1 Q13546 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
OPRK1 P41145 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1F O60840 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
CACNA1D Q01668 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36

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
Hydrochloric Acid SCHEMBL565469 0.98 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRIPK1KDM4EATM
SCHEMBL8119644 0.76 CYP3A4 (0.53) SMN1; SMN2SLC6A3CYP2C19CHRM2CHRM1
SCHEMBL479277 0.76 CYP3A4 (0.53) SMN1; SMN2SLC6A3CYP2C19CHRM2CHRM1
SCHEMBL31426820 0.76 MAPT (0.51) MAPTCYP2C19ALDH1A1LMNAHTT
SCHEMBL1387573 0.76 CYP3A4 (0.53) SMN1; SMN2SLC6A3CYP2C19CHRM2CHRM1
SCHEMBL10582023 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKDM4EATMCYP2C19
SCHEMBL6724867 0.75 MTOR (0.58) SMN1; SMN2MAPTKDM4EATMCYP2C19
SCHEMBL6928837 0.74 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C19ALDH1A1MTOR
SCHEMBL6928834 0.74 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C19ALDH1A1MTOR
Hydrochloric Acid SCHEMBL11627221 0.74 CYP3A4 (0.55) SMN1; SMN2SLC6A3CYP2C19CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844827-B1 TUBERCULOCIDAL SYNERGISTIC DISINFECTANT COMPOSITIONS AND METHODS OF DISINFECTING JOHNSON S C COMM MARKETS INC (US) 1999-06-09 EP claimed
EP-2459692-B1 NOVEL FORMULATION OF A WARE WASHING SOLID CONTROLLING HARDNESS ECOLAB USA INC (US) 2018-05-30 EP disclosed
US-8242176-B2 Biocidal aldehyde composition for oil and gas extraction MARTIN HOWARD (US) 2012-08-14 US disclosed
US-8242176-B2 Biocidal aldehyde composition for oil and gas extraction MARTIN HOWARD (US) 2012-08-14 US disclosed
US-8088829-B2 Biocidal aldehyde composition MARTIN HOWARD (US) 2012-01-03 US disclosed
US-8088829-B2 Biocidal aldehyde composition MARTIN HOWARD (US) 2012-01-03 US disclosed
US-20110060052-A1 Biocidal aldehyde composition for oil and gas extraction MARTIN HOWARD 2011-03-10 US disclosed
US-20110060052-A1 Biocidal aldehyde composition for oil and gas extraction MARTIN HOWARD 2011-03-10 US disclosed
US-20110059027-A1 Biocidal aldehyde composition MARTIN HOWARD 2011-03-10 US disclosed
US-20110059027-A1 Biocidal aldehyde composition MARTIN HOWARD 2011-03-10 US disclosed
WO-1993018745-A1 USE OF ANTIVIRAL COATING FOR LATEX ITEMS SUCH AS CONDOMS GEDA INTERNATIONAL S.A. (BS) 1993-09-30 WO disclosed