SCHEMBL19630714

SCHEMBL19630714

C=CCNCCC[N+](C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39
KDM1A O60341 5/20 0.34
BBOX1 O75936 4/20 0.34
ATM Q13315 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PAOX Q6QHF9 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
SCHEMBL4782686 0.86 DNM1 (0.43) DNM1KMT2AHTTKDM1AATM
SCHEMBL6549189 0.83 HTT (0.54) DNM1KMT2AHTTHSP90AA1RAD52
Hydrochloric Acid SCHEMBL28596232 0.82 KDM1A (0.33) KDM1ABBOX1CNR1CNR2
SCHEMBL714615 0.81 MEN1 (0.38) KMT2AKDM1ACNR1CNR2PAOX
Hydrochloric Acid SCHEMBL28916544 0.79 APEX1 (0.40) DNM1KMT2AKDM1ACNR1CNR2
SCHEMBL4931018 0.78 KMT2A (0.34) KMT2ABBOX1ATMCNR1CNR2
SCHEMBL176501 0.78 LSS (0.37) KDM1ACNR1CNR2PAOX
SCHEMBL9818482 0.77 KMT2A (0.39) KMT2ABBOX1ATM
SCHEMBL20343734 0.76 KMT2A (0.50) DNM1KMT2AHTTHSP90AA1RAD52
SCHEMBL5154412 0.75 MEN1 (0.42) DNM1KMT2AKDM1ACNR1CNR2

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
US-20170333846-A1 COMPOSITE ANION EXCHANGE MEMBRANE, METHOD FOR PRODUCING THE SAME, ION EXCHANGE MEMBRANE MODULE, AND ION EXCHANGE DEVICE FUJIFILM CORPORATION (JP) 2017-11-23 US disclosed