SCHEMBL7089780

SCHEMBL7089780

Cc1ccc(N)c(NCCCN)c1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.41
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
STK17A Q9UEE5 7/20 0.35
STK17B O94768 3/20 0.33
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32

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
SCHEMBL11755254 0.78 KAT2B (0.46) KAT2BIDO1ALDH1A1MEN1HPGD
SCHEMBL7138488 0.76 KAT2B (0.47) KAT2BIDO1ALDH1A1MEN1HPGD
SCHEMBL6065182 0.71 KAT2B (0.51) KAT2BIDO1ALDH1A1MEN1HPGD
SCHEMBL2455817 0.69 ALDH1A1 (0.49) KAT2BALDH1A1STK17ASTK17B
SCHEMBL7139274 0.69 ALDH1A1 (0.49) KAT2BALDH1A1STK17ASTK17B
SCHEMBL6065939 0.67 RAPGEF4 (0.44) KAT2BALDH1A1STK17ASSTR2SSTR4
SCHEMBL7136500 0.66 KAT2B (0.57) KAT2BALDH1A1STK17A
SCHEMBL7136396 0.66 KAT2B (0.57) KAT2BIDO1
SCHEMBL1201436 0.65 ALDH1A1 (0.46) ALDH1A1HSD17B10
SCHEMBL3635513 0.65 KDM4E (0.36) ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321453-A3 N-(Aminopropyl)-toluenediamines and their use as epoxy curing agents AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-08-13 EP disclosed
EP-1321453-A2 N-(Aminopropyl)-toluenediamines and their use as epoxy curing agents AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-06-25 EP disclosed