SCHEMBL11247996

SCHEMBL11247996

COCC(C)(C)/C(Cn1cnc([N+](=O)[O-])c1C)=N\O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.31
CYP2C19 P33261 1/20 0.30
MAPT P10636 3/20 0.30
HTT P42858 3/20 0.30
LMNA P02545 2/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ERO1A Q96HE7 1/20 0.30
POLB P06746 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
SCHEMBL11248001 1.00 KMT2A (0.36) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11235139 0.86 KDM4E (0.38) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11235144 0.86 KDM4E (0.38) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11233564 0.86 KMT2A (0.35) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11233560 0.86 KMT2A (0.35) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11238219 0.85 KMT2A (0.43) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11238223 0.85 KMT2A (0.43) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11339404 0.84 KMT2A (0.34) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11339400 0.84 KMT2A (0.34) KMT2AKDM4EALDH1A1ATMCYP2C19
SCHEMBL11245012 0.79 ALDH1A1 (0.49) KMT2AALDH1A1MAPTLMNASMN1; SMN2

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