SCHEMBL11697167

SCHEMBL11697167

CCOc1cc2c(cc1[N+](=O)[O-])OOC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
LMNA P02545 8/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
POLB P06746 3/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11697414 0.79 ALDH1A1 (0.46) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11697163 0.77 MAPT (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11835695 0.73 MAPT (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL28954076 0.73 SRC (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11691638 0.72 MAPT (0.41) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11857762 0.72 NOS3 (0.38) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11693815 0.71 MAPT (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11693536 0.70 ALOX15 (0.40) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11691065 0.70 DTYMK (0.42) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11697951 0.70 MAPT (0.44) MAPTLMNAMEN1KMT2AALDH1A1

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
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US disclosed