SCHEMBL24405348

SCHEMBL24405348

C=C(C)Nc1cc(N(CC)CCC#N)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
ALDH1A1 P00352 8/20 0.35
KMT2A Q03164 6/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 4/20 0.35
THRB P10828 2/20 0.35
MAPT P10636 6/20 0.35
GAA P10253 3/20 0.35
MAPK1 P28482 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.31
CRHR1 P34998 2/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
HDAC1 Q13547 1/20 0.31
MLYCD O95822 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
SCHEMBL22476606 0.88 HDAC1 (0.42) S100BALDH1A1KMT2AKDM4EMEN1
SCHEMBL24405403 0.86 S100B (0.51) S100BALDH1A1KMT2AKDM4EMEN1
SCHEMBL22212937 0.78 KDM4E (0.36) S100BALDH1A1KDM4EMAPTGAA
SCHEMBL19980882 0.72 HDAC3 (0.32) S100BHDAC1
SCHEMBL6075087 0.72 S100B (0.51) S100BALDH1A1KMT2AMEN1MAPT
SCHEMBL11696313 0.71 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMEN1THRB
SCHEMBL10979411 0.71 ALDH1A1 (0.62) S100BALDH1A1KMT2AKDM4EMEN1
SCHEMBL27095757 0.70 S100B (0.49) S100BALDH1A1KMT2AKDM4EMEN1
SCHEMBL9013674 0.70 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1THRBMAPT
SCHEMBL15264299 0.69 ALDH1A1 (0.47) S100BALDH1A1KMT2AKDM4EMEN1

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
EP-3715423-B1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-FLUORO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DYSTAR COLOURS DISTRIB GMBH (DE) 2022-05-11 EP disclosed