SCHEMBL8917889

SCHEMBL8917889

CCCNC1NCCNC1c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AXL P30530 2/20 0.32
FLT3 P36888 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
GAS6 Q14393 2/20 0.32
POLB P06746 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL8919141 0.86 CTH (0.31) CTHKDM4EKMT2APOLBDDB1
SCHEMBL8917001 0.81 KDM4E (0.33) CTHKDM4EHSD17B10CASP1TP53
SCHEMBL8916129 0.81 MDM2 (0.34) CTHKDM4EKMT2ADDB1CRBN
SCHEMBL8916653 0.80 SLC2A1 (0.36) CTHKDM4EHTTKMT2ASMN1; SMN2
SCHEMBL8916767 0.77 KDM5A (0.34) CTHKDM4EHSD17B10KMT2APOLB
SCHEMBL8917578 0.73 ALDH1A1 (0.42) KDM4EHSD17B10CASP1KMT2APOLB
SCHEMBL20840578 0.71 DDB1 (0.40) CTHKDM4ETP53KMT2APOLB
SCHEMBL29743006 0.71 DDB1 (0.40) CTHKDM4ETP53KMT2APOLB
SCHEMBL8918459 0.69 ALDH1A1 (0.36) KDM4EHSD17B10KMT2APOLBALDH1A1
SCHEMBL27793412 0.69 DDB1 (0.37) CTHKDM4EHSD17B10CASP1KMT2A

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