SCHEMBL8646262

SCHEMBL8646262

N#CC1=C(C#N)NC(c2ccc([N+](=O)[O-])o2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
KMT2A Q03164 8/20 0.40
KDM4E B2RXH2 6/20 0.40
MEN1 O00255 6/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
POLB P06746 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 4/20 0.40
GAA P10253 2/20 0.40
CASP6 P55212 2/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MITF O75030 2/20 0.36
XBP1 P17861 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL1608505 0.69 KMT2A (0.44) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL15200988 0.66 LMNA (0.58) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11494801 0.66 ALDH1A1 (0.39) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11781977 0.65 ALDH1A1 (0.43) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11779254 0.64 ALDH1A1 (0.43) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11775267 0.64 ALDH1A1 (0.43) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11779505 0.62 CASP6 (0.42) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11780419 0.62 CASP6 (0.42) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL11776524 0.62 ALDH1A1 (0.48) MAPTKMT2AKDM4EMEN1L3MBTL1
SCHEMBL14534706 0.62

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-5712408-A Diaminomaleonitrile derivative compounds, polymers, and method of producing same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-01-27 US disclosed