SCHEMBL7989678

SCHEMBL7989678

O=C1NCC=NN1c1cc(Cl)c(Cc2ccc(-c3cnco3)cc2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTK2 Q05397 1/20 0.34
LTA4H P09960 1/20 0.34
PKM P14618 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
JAK3 P52333 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL7838791 0.81 ALDH1A1 (0.35) KMT2AMEN1PKMKDM4ELMNA
SCHEMBL7480508 0.80 TYMP (0.35) KMT2AMEN1LTA4HKDM4ELMNA
SCHEMBL7990242 0.79 PRKAB2 (0.33)
SCHEMBL8002706 0.76 LSS (0.34) KMT2AMEN1LTA4HPKMLMNA
SCHEMBL7839566 0.76 KMT2A (0.39) KMT2AMEN1LMNAPOLB
SCHEMBL7470125 0.75 VNN1 (0.34) PKMNPC1HTTMAPK1HRH3
SCHEMBL7989875 0.75 THRB (0.49) NOTUMKMT2AMEN1
SCHEMBL7917032 0.75 ENPP2 (0.34) KMT2AMEN1CYP3A4PKMKDM4E
SCHEMBL8002443 0.74 MAPT (0.34) HTT
SCHEMBL7990341 0.74 ALDH1A1 (0.33) PKMALDH1A1

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-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed