SCHEMBL4551626

SCHEMBL4551626

c1ccc(Nn2cnc3cncnc32)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK10 P53779 1/20 0.39
GFER P55789 1/20 0.39
LTA4H P09960 1/20 0.36
CYP1A2 P05177 6/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 4/20 0.36
TSHR P16473 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 3/20 0.36
LMNA P02545 2/20 0.36
HBB P68871 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
HSF1 Q00613 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CLK4 Q9HAZ1 2/20 0.33
USP2 O75604 2/20 0.33

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
SCHEMBL2429098 0.80 CYP1A2 (0.41) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL8542831 0.73 LTA4H (0.39) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL795951 0.73 L3MBTL1 (0.35) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL4409381 0.73 NPC1 (0.41) MEN1KMT2AMAPK10LTA4HCYP1A2
SCHEMBL27491044 0.72 HAVCR2 (0.37) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL4542537 0.71 POLB (0.54) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL5828209 0.71 FDPS (0.40) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL3021750 0.71 FDPS (0.40) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL3421967 0.71 FDPS (0.46) MEN1KMT2ALTA4HCYP1A2ALDH1A1
SCHEMBL9356692 0.71 FDPS (0.40) MEN1KMT2ALTA4HCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654255-A MIXTURE OF A N,N-DIMETHYLPIPERIDINIUM SALT, HEXITOL AND CYTOKININ; COTTON PLANTS BASF CORPORATION (US) 1997-08-05 US claimed
US-7634870-B1 Cytokinin enhancement of cotton THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-12-22 US disclosed