SCHEMBL20195435

SCHEMBL20195435

CCOc1cccc([N+](=O)[O-])c1COc1cccc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RECQL P46063 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
GABRA5 P31644 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GRM5 P41594 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL20195550 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2ARECQL
SCHEMBL20195519 0.82 LMNA (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL20195654 0.82 RXRA (0.43) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL22563809 0.78 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ARECQL
SCHEMBL18504556 0.78 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ARECQL
SCHEMBL20195434 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ARECQL
SCHEMBL20195590 0.77 GABRA5 (0.44) ALDH1A1LMNAMEN1KMT2AGABRA5
SCHEMBL16920877 0.76 MAPT (0.45) ALDH1A1LMNAMEN1KMT2ARECQL
SCHEMBL20195640 0.76 TP53 (0.42) LMNAMEN1KMT2AMAPTGABRA5
SCHEMBL18831513 0.75 MEN1 (0.44) ALDH1A1LMNAMEN1KMT2ARECQL

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