SCHEMBL11235144

SCHEMBL11235144

Cc1c([N+](=O)[O-])ncn1CC(=NO)C(C)(C)CCl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.31
NLRP1 Q9C000 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11235139 1.00 KDM4E (0.38) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11233564 0.88 KMT2A (0.35) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11233560 0.88 KMT2A (0.35) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11238223 0.87 KMT2A (0.43) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11238219 0.87 KMT2A (0.43) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11248001 0.86 KMT2A (0.36) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11339404 0.86 KMT2A (0.34) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11339400 0.86 KMT2A (0.34) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11247996 0.86 KMT2A (0.36) KDM4EKMT2AALDH1A1ATMCYP2C19
SCHEMBL11250635 0.78 ALDH1A1 (0.51) KMT2AALDH1A1LMNA

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