SCHEMBL8593200

SCHEMBL8593200

c1ccc(CNn2cnc3ncncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
CYP1A2 P05177 10/20 0.38
CYP2D6 P10635 9/20 0.38
CYP3A4 P08684 9/20 0.38
ALDH1A1 P00352 8/20 0.38
ALOX15 P16050 6/20 0.38
CYP2C19 P33261 6/20 0.38
TSHR P16473 5/20 0.38
HSD17B10 Q99714 6/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 4/20 0.36
CLK4 Q9HAZ1 3/20 0.36
CYP2C9 P11712 2/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5428242 0.76 NTRK1 (0.39) LTA4HHDAC6HDAC1
SCHEMBL325140 0.74 HDAC1 (0.61) LTA4HHDAC6HDAC1CYP1A2CYP3A4
SCHEMBL4359327 0.73 ASAH1 (0.54) LTA4HALDH1A1ALOX15TSHRHSD17B10
SCHEMBL6664459 0.68 HDAC6 (0.58) LTA4HHDAC6ALDH1A1
SCHEMBL4952594 0.68 SRC (0.51) ALDH1A1HPGDKDM4ETDP1MAPK1
SCHEMBL25425493 0.68 LTA4H (0.47) LTA4HCYP1A2CYP2D6CYP3A4ALDH1A1
SCHEMBL28285863 0.67 HDAC6 (0.40) LTA4HHDAC6HDAC1
SCHEMBL4509508 0.65 HDAC6 (0.39) LTA4HHDAC6HDAC1
SCHEMBL4509511 0.65 HDAC6 (0.39) LTA4HHDAC6HDAC1
SCHEMBL277148 0.64 HDAC6 (0.46) LTA4HHDAC6HDAC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523097-B2 Engineering rubber production in plants THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2016-12-20 US disclosed
US-20140325699-A1 ENGINEERING RUBBER PRODUCTION IN PLANTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2014-10-30 US disclosed
WO-1998056385-A1 BASE-MODIFIED DERIVATIVES OF 2',5'-OLIGOADENYLATE AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-12-17 WO disclosed