SCHEMBL22743540

SCHEMBL22743540

Cc1ccc2c(c1)N=C(N)N1CCN=C21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 0.55
TP53 P04637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC4 P56524 7/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
PTAFR P25105 2/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37
UHRF1 Q96T88 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 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
SCHEMBL22743005 0.82 HDAC8 (0.55) HDAC8HPGDHDAC4HDAC6HDAC5
SCHEMBL2260946 0.82 PTAFR (0.41) HDAC8HPGDHDAC4HDAC6HDAC5
SCHEMBL2258835 0.81 HDAC8 (0.57) HDAC8ALDH1A1HPGDHSD17B10HDAC4
Bromide SCHEMBL2260972 0.80 HDAC8 (0.56) HDAC8ALDH1A1HPGDHSD17B10HDAC4
SCHEMBL86872 0.78 DNMT1 (0.53) HDAC8HDAC4PTAFRDNMT1RAD52
Bromide SCHEMBL82425 0.76 DNMT1 (0.51) HDAC8HDAC4PTAFRDNMT1RAD52
Bromide SCHEMBL81705 0.74 LGMN (0.46) TP53ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28700929 0.73 DNMT1 (0.37) HDAC8HDAC4HDAC6HDAC5PTAFR
SCHEMBL12362300 0.71 HDAC8 (0.37) HDAC8HDAC4HDAC6HDAC5PTAFR
SCHEMBL86896 0.70 SMN1; SMN2 (0.46) HDAC8TP53ALDH1A1HPGDALOX15

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
WO-2020243178-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2020-12-03 WO disclosed