SCHEMBL28034533

SCHEMBL28034533

CN(C)CCNC(=O)CCCN

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.66
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACKR3 P25106 1/20 0.46
KDM4A O75164 1/20 0.44
HIF1A Q16665 1/20 0.44
TET2 Q6N021 1/20 0.44
DOHH Q9BU89 1/20 0.44
SLC6A5 Q9Y345 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
LGALS1 P09382 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL3550114 0.88 DNM1 (0.59) DNM1CYP2C9CYP2C19ACKR3KDM4A
Hydrochloric Acid SCHEMBL55352 0.86 DNM1 (0.58) DNM1CYP2C9CYP2C19ACKR3KDM4A
SCHEMBL9506009 0.85 DNM1 (0.70) DNM1KDM4AHIF1ATET2DOHH
SCHEMBL9504615 0.84 DNM1 (0.73) DNM1KDM4AHIF1ATET2DOHH
SCHEMBL9507687 0.84 DNM1 (0.63) DNM1KDM4AHIF1ATET2DOHH
SCHEMBL15858234 0.84 DNM1 (0.63) DNM1KDM4AHIF1ATET2DOHH
SCHEMBL12254769 0.82 DNM1 (0.68) DNM1ACKR3TP53MAPTCA1
SCHEMBL10086103 0.82 DNM1 (0.86) DNM1ACKR3TP53MAPT
Hydrochloric Acid SCHEMBL1930572 0.82 DNM1 (0.71) DNM1KDM4AHIF1ATET2DOHH
Hydrochloric Acid SCHEMBL1931188 0.82 DNM1 (0.71) DNM1KDM4AHIF1ATET2DOHH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263906-B The inhibitor of histone demethylase 吉利德科学公司 2018-11-23 CN disclosed
CN-105263906-A Inhibitors of histone demethylases EPITHERAPEUTICS APS 2016-01-20 CN disclosed
CN-104981458-A Inhibitors of histone demethylases EPITHERAPEUTICS APS 2015-10-14 CN disclosed