SCHEMBL20195434

SCHEMBL20195434

CCOc1cccc([N+](=O)[O-])c1COc1ncccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.44
RAB9A P51151 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 5/20 0.41
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TSHR P16473 2/20 0.39
PAX8 Q06710 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL20195426 0.83 ALDH1A1 (0.50) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL20195559 0.82 ALDH1A1 (0.43) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL20195550 0.81 ALDH1A1 (0.49) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL20195438 0.79 ALDH1A1 (0.42) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL20195451 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL20195598 0.77 KMT2A (0.49) ALDH1A1RAB9AMEN1KMT2AMAPK1
SCHEMBL20195435 0.77 ALDH1A1 (0.45) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL16920877 0.77 MAPT (0.45) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL18831513 0.76 MEN1 (0.44) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL20195552 0.76 ALDH1A1 (0.43) ALDH1A1LMNARAB9AMEN1KMT2A

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