SCHEMBL8925246

SCHEMBL8925246

CCCNC/C=C/CNCCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.57
ADH1B P00325 3/20 0.43
ADH1A P07327 3/20 0.43
ADH7 P40394 3/20 0.43
ADH1C P00326 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PAOX Q6QHF9 1/20 0.32
EPHX1 P07099 1/20 0.32
ADH4 P08319 1/20 0.32
CA1 P00915 1/20 0.30
ANPEP P15144 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
SCHEMBL9036852 0.91
SCHEMBL22473042 0.89 KDM1A (0.48) KDM1AADH1BADH1AADH7ALDH1A1
Hydrochloric Acid SCHEMBL22771604 0.89 KDM1A (0.52) KDM1AADH1BADH1AADH7
Hydrochloric Acid SCHEMBL22771605 0.89 KDM1A (0.52) KDM1AADH1BADH1AADH7
SCHEMBL8637664 0.89 KDM1A (0.68) KDM1AADH1BADH1AADH7ADH1C
SCHEMBL8637671 0.89 KDM1A (0.68) KDM1AADH1BADH1AADH7ADH1C
SCHEMBL4031564 0.87
Hydrochloric Acid SCHEMBL8639853 0.87 KDM1A (0.70) KDM1AADH1BADH1AADH7TSHR
Hydrochloric Acid SCHEMBL8639846 0.87 KDM1A (0.70) KDM1AADH1BADH1AADH7TSHR
SCHEMBL14394673 0.85

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-5599847-A N,N,N',N'-TETRAALKYL-1,4-DIAMINO OR N,N' -DIAMIDINO-1,4-DIAMINOBUT-2-ENES; MILDEW; PLANTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-02-04 US disclosed