SCHEMBL6544574

SCHEMBL6544574

NC1C(=O)N=NC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
MAOB P27338 8/20 0.34
MAOA P21397 7/20 0.34
KDM1A O60341 5/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2B6 P20813 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
SLC6A2 P23975 2/20 0.34

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
SCHEMBL623142 0.64 EDNRA (0.38) SLC6A3RAB9ACYP1A2LMNAMAPT
SCHEMBL10207159 0.61 MAOB (0.35) SLC6A3RAB9ACYP1A2LMNAMAPT
SCHEMBL8591954 0.60 MAPT (0.46) SLC6A3RAB9ACYP1A2LMNAMAPT
SCHEMBL11711361 0.60 P2RX7 (0.36) MAOBMAOAKDM1ACYP2C19GAA
SCHEMBL9511228 0.58 SMN1; SMN2 (0.45) SLC6A3CYP1A2LMNAMAPTCYP3A4
SCHEMBL10833990 0.58 RAB9A (0.40) SLC6A3RAB9ACYP1A2LMNAMAPT
SCHEMBL6736005 0.58 MAPT (0.40) SLC6A3RAB9ACYP1A2LMNAMAPT
SCHEMBL8038558 0.58 MAOB (0.46) SLC6A3CYP1A2LMNAMAPTCYP3A4
SCHEMBL4451198 0.57 RAB9A (0.47) SLC6A3RAB9ACYP1A2LMNAMAPT
SCHEMBL4000647 0.57 GAA (0.41) SLC6A3CYP1A2LMNAMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222856-B1 PLANT DISEASE CONTROLLING COMPOSITIONS AND PLANT DISEASE CONTROLLING METHOD SUMITOMO CHEMICAL CO (JP) 2004-01-07 EP disclosed