SCHEMBL8917001

SCHEMBL8917001

CCC(CC)NC1NCCNC1c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
HHAT Q5VTY9 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
CTH P32929 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8916767 0.86 KDM5A (0.34) KDM4EHSD17B10KMT2APOLBALDH1A1
SCHEMBL8917889 0.81 CTH (0.34) KDM4EHSD17B10CASP1KMT2AHTT
SCHEMBL8919141 0.75 CTH (0.31) KDM4EKMT2APOLBALDH1A1MAPT
SCHEMBL8916129 0.75 MDM2 (0.34) KDM4EKMT2AALDH1A1MAPTCTH
SCHEMBL8916653 0.74 SLC2A1 (0.36) KDM4EKMT2AHTTSMN1; SMN2POLB
SCHEMBL8917578 0.73 ALDH1A1 (0.42) KDM4EHSD17B10CASP1KMT2APOLB
SCHEMBL20840578 0.71 DDB1 (0.40) KDM4EKMT2APOLBALDH1A1MAPT
SCHEMBL29743006 0.71 DDB1 (0.40) KDM4EKMT2APOLBALDH1A1MAPT
SCHEMBL8918459 0.69 ALDH1A1 (0.36) KDM4EHSD17B10KMT2APOLBALDH1A1
SCHEMBL27793412 0.69 DDB1 (0.37) KDM4EHSD17B10CASP1KMT2APOLB

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