SCHEMBL8916653

SCHEMBL8916653

C=CCNC1NCCNC1c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
POLB P06746 1/20 0.34
KDM4E B2RXH2 5/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TDP1 Q9NUW8 2/20 0.31
SUMO3 P55854 1/20 0.31
SUMO2 P61956 1/20 0.31
SUMO1 P63165 1/20 0.31
PTBP1 P26599 1/20 0.31
OPRK1 P41145 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.31
CTH P32929 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL8916129 0.80 MDM2 (0.34) KDM4EMAPTALDH1A1TDP1RAB9A
SCHEMBL8919141 0.80 CTH (0.31) POLBKDM4EMAPTALDH1A1TDP1
SCHEMBL8917889 0.80 CTH (0.34) POLBKDM4EMAPTHTTSMN1; SMN2
SCHEMBL8917001 0.74 KDM4E (0.33) POLBKDM4EMAPTHTTSMN1; SMN2
SCHEMBL8916767 0.73 KDM5A (0.34) POLBKDM4EMAPTHIF1AALDH1A1
SCHEMBL8917578 0.72 ALDH1A1 (0.42) POLBKDM4EMAPTALDH1A1KMT2A
SCHEMBL8918459 0.68 ALDH1A1 (0.36) POLBKDM4EALDH1A1KMT2AMDM2
SCHEMBL27793412 0.68 DDB1 (0.37) POLBKDM4EMAPTLMNAHIF1A
SCHEMBL27793415 0.68 NISCH (0.40) POLBKDM4EMAPTHTTLMNA
SCHEMBL29743006 0.67 DDB1 (0.40) POLBKDM4EMAPTLMNAHIF1A

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-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed