SCHEMBL11245012

SCHEMBL11245012

COCC(C)(C)C(Cn1cc([N+](=O)[O-])nc1C)=NO

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
PKM P14618 2/20 0.48
KMT2A Q03164 3/20 0.46
SOS1 Q07889 1/20 0.42
MITF O75030 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11244997 1.00 ALDH1A1 (0.49) ALDH1A1PKMKMT2ASOS1MITF
SCHEMBL11238962 0.86 ALDH1A1 (0.51) ALDH1A1PKMKMT2ASOS1MITF
SCHEMBL11238982 0.86 ALDH1A1 (0.51) ALDH1A1PKMKMT2ASOS1MITF
SCHEMBL11250635 0.86 ALDH1A1 (0.51) ALDH1A1PKMKMT2ASOS1MITF
SCHEMBL11250644 0.86 ALDH1A1 (0.51) ALDH1A1PKMKMT2ASOS1MITF
SCHEMBL11239444 0.84 ALDH1A1 (0.49) ALDH1A1PKMKMT2ASOS1MITF
SCHEMBL11239447 0.84 ALDH1A1 (0.49) ALDH1A1PKMKMT2ASOS1MITF
SCHEMBL11240659 0.80 L3MBTL1 (0.44) ALDH1A1PKMKMT2APOLBLMNA
SCHEMBL11240663 0.80 L3MBTL1 (0.44) ALDH1A1PKMKMT2APOLBLMNA
SCHEMBL11247996 0.79 KMT2A (0.36) ALDH1A1KMT2APOLBLMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344953-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0005249-B1 SUBSTITUTED ALKANYL-AZOLYL CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES, ACARICIDES AND NEMATOCIDES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0005249-A2 Substituted alkanyl-azolyl carbamates, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-11-14 EP disclosed