SCHEMBL20195426

SCHEMBL20195426

Cc1cccnc1OCc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
GFER P55789 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
PDE10A Q9Y233 1/20 0.40
PAX8 Q06710 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5797568 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTPOLBMAPK1
SCHEMBL20195579 0.84 LMNA (0.44) ALDH1A1KDM4EMAPTPOLBMAPK1
SCHEMBL20195434 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL20195560 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPOLBMAPK1
SCHEMBL20195559 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTPOLBMAPK1
SCHEMBL20195438 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTPOLBMAPK1
SCHEMBL20195417 0.78 SMN1; SMN2 (0.45) ALDH1A1KDM4EPOLBKMT2ARAB9A
SCHEMBL16920881 0.77 LMNA (0.44) ALDH1A1KDM4EMAPTPOLBMAPK1
SCHEMBL20195627 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBMAPK1KMT2A
SCHEMBL20195519 0.76 LMNA (0.46) ALDH1A1KDM4EMAPTPOLBMAPK1

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed