SCHEMBL28175640

SCHEMBL28175640

CCN1CCN(Cc2cccc(NC)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
SIGMAR1 Q99720 3/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 3/20 0.45
LMNA P02545 1/20 0.45
PRMT6 Q96LA8 1/20 0.42

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
SCHEMBL5496809 0.87 MC4R (0.59) NPC1RAB9ATP53SIGMAR1FAAH
SCHEMBL922710 0.87 PRMT6 (0.57) ALDH1A1KDM4ETDP1POLBSMN1; SMN2
SCHEMBL6736373 0.85 SMN1; SMN2 (0.58) ALDH1A1KDM4ETDP1POLBSMN1; SMN2
SCHEMBL28855158 0.83 SIGMAR1 (0.57) TDP1SIGMAR1KMT2AMEN1
SCHEMBL13490043 0.83 MEN1 (0.60) ALDH1A1KDM4ETDP1POLBKMT2A
SCHEMBL4367879 0.83 NCF1 (0.60) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL374541 0.80 TNNI3K (0.47) ALDH1A1KDM4ETDP1NPC1RAB9A
SCHEMBL13489987 0.80 ACKR3 (0.45) ALDH1A1SIGMAR1HSD17B10KMT2AMEN1
SCHEMBL19986930 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL12764114 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1NPC1RAB9A

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
CN-107205391-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-09-26 CN disclosed