SCHEMBL8302197

SCHEMBL8302197

CC(=O)O/N=C/c1cc[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MIF P14174 2/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL8302198 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBTDP1MIF
SCHEMBL8302035 0.85 MIF (0.35) KDM4EPOLBMIFMAPTLMNA
SCHEMBL8302038 0.85 MIF (0.35) KDM4EPOLBMIFMAPTLMNA
SCHEMBL8301543 0.82 TDP1 (0.37) ALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL8301545 0.82 TDP1 (0.37) ALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL8305287 0.76 PLK1 (0.49) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL8307303 0.76
SCHEMBL8304607 0.75 GPR55 (0.42) ALDH1A1KDM4EPOLBTDP1LMNA
SCHEMBL8304605 0.75 GPR55 (0.42) ALDH1A1KDM4EPOLBTDP1LMNA
SCHEMBL8307891 0.72 USP2 (0.40) ALDH1A1KDM4EMIFLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed