SCHEMBL10985384

SCHEMBL10985384

CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GALR3 O60755 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
GPR35 Q9HC97 2/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
CCR6 P51684 1/20 0.40
HPGD P15428 2/20 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
SCHEMBL10977680 1.00 KMT2A (0.57) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL10977678 0.90 KMT2A (0.54) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL30124171 0.88 KMT2A (0.53) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL159495 0.88 KMT2A (0.53) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL28295087 0.85 ALDH1A1 (0.44) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL11125491 0.84 CA1 (0.51) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
Methacrylic Acid SCHEMBL27555674 0.83 KMT2A (0.44) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL159094 0.82 TDP1 (0.48) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL27469667 0.82 TDP1 (0.63) KMT2AMEN1HTTSMN1; SMN2GALR3
Dinoterb SCHEMBL11379609 0.79 KMT2A (0.70) KMT2AMEN1HTTSMN1; SMN2GALR3

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-0068294-B1 A NEW ACARICIDAL COMPOSITION, PROCESSES FOR ITS PRODUCTION AND ITS USE A. Nattermann & Cie. GmbH (DE) 1985-12-18 EP claimed